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CC1=NCCN1
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Cc1csc(-c2cc3nc(N)nc(N(C)C)c3c3ccn(C)c23)c1
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[C][C][=C][S][C][Branch2][Ring2][C][C][=C][C][=N][C][Branch1][C][N][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][Ring1][#Branch2][C][C][=C][N][Branch1][C][C][C][Ring2][Ring1][C][=Ring1][=Branch1][=C][Ring2][Ring1][#Branch1]
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M END
|
O=C(N[C@@H](CSCc1ccc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)cc1)C(=O)O)c1ccc2nc[nH]c2c1
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[O][=C][Branch2][Branch1][=C][N][C@@H1][Branch2][Branch1][Ring2][C][S][C][C][=C][C][=C][Branch2][Ring2][Branch1][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N][C][=Branch1][C][=O][O][C][=C][C][=C][N][=C][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2]
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InChI=1S/C39H31N3O4S/c43-38(30-18-19-32-33(21-30)41-24-40-32)42-34(39(44)45)23-47-22-26-10-12-27(13-11-26)28-14-16-29(17-15-28)37-31-8-4-5-9-35(31)46-36(37)20-25-6-2-1-3-7-25/h1-19,21,24,34H,20,22-23H2,(H,40,41)(H,42,43)(H,44,45)/t34-/m0/s1
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US20050009817A1_p0019_x0681_y1779_c00065
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0007.cdx
ChemDraw12150415532D
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M END
|
O=C1CN(c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)c2ccccc2N1
|
[O][=C][C][N][Branch2][Ring1][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Branch1][C][Cl][C][=C][C][Ring1][#Branch1][=N][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][O]
|
InChI=1S/C22H15ClN4O/c23-15-10-11-17-16(12-15)21(14-6-2-1-3-7-14)26-22(25-17)27-13-20(28)24-18-8-4-5-9-19(18)27/h1-12H,13H2,(H,24,28)
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US20070049758A1_p0023_x0521_y0695_c00037
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0024.cdx
ChemDraw01130703092D
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M END
|
C#Cc1cc(Oc2cnc(N)nc2N)c(CC)cc1OC
|
[C][#C][C][=C][C][Branch1][=C][O][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][N][=C][Branch1][Ring1][C][C][C][=C][Ring1][P][O][C]
|
InChI=1S/C15H16N4O2/c1-4-9-7-12(10(5-2)6-11(9)20-3)21-13-8-18-15(17)19-14(13)16/h1,6-8H,5H2,2-3H3,(H4,16,17,18,19)
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US20050009817A1_p0021_x0561_y1358_c00070
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0012.cdx
ChemDraw12150415572D
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25 35 2 0
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M END
|
CCCCc1ccc(-c2nc(Nc3ccc(S(N)(=O)=O)cc3)nc3ccc(-c4ccco4)cc23)cc1
|
[C][C][C][C][C][=C][C][=C][Branch2][Ring2][#C][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=N][C][=C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][#Branch2][Ring1][O][C][=C][Ring2][Ring1][S]
|
InChI=1S/C28H26N4O3S/c1-2-3-5-19-7-9-20(10-8-19)27-24-18-21(26-6-4-17-35-26)11-16-25(24)31-28(32-27)30-22-12-14-23(15-13-22)36(29,33)34/h4,6-18H,2-3,5H2,1H3,(H2,29,33,34)(H,30,31,32)
|
|
US20050267177A1_p0027_x1329_y0723_c00097
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0860.cdx
ChemDraw10230507252D
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33 35 1 0
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M END
|
Cc1cccc(COC2CCCC(OCc3nc(-c4cccc(C(F)(F)F)c4)oc3C)C2)c1C(=O)O
|
[C][C][=C][C][=C][C][Branch2][Ring2][=C][C][O][C][C][C][C][C][Branch2][Ring1][S][O][C][C][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][O][C][=Ring1][#C][C][C][Ring2][Ring1][Branch2][=C][Ring2][Ring1][S][C][=Branch1][C][=O][O]
|
InChI=1S/C27H28F3NO5/c1-16-6-3-8-19(24(16)26(32)33)14-34-21-10-5-11-22(13-21)35-15-23-17(2)36-25(31-23)18-7-4-9-20(12-18)27(28,29)30/h3-4,6-9,12,21-22H,5,10-11,13-15H2,1-2H3,(H,32,33)
|
|
US20050004369A1_p0034_x0443_y2351_c00071
|
0020.cdx
ChemDraw12100415152D
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39 40 1 0
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M END
|
CC(C)c1ccc(-n2c(-c3ccc(Cl)cc3)nn(-c3ccc(NS(=O)(=O)c4ccc(C(=O)O)cc4)cn3)c2=O)cc1
|
[C][C][Branch1][C][C][C][=C][C][=C][Branch2][Branch1][=N][N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=N][Ring2][Ring1][Ring1][C][Ring2][Ring1][#C][=O][C][=C][Ring2][Ring2][=Branch1]
|
InChI=1S/C29H24ClN5O5S/c1-18(2)19-5-12-24(13-6-19)34-27(20-3-9-22(30)10-4-20)32-35(29(34)38)26-16-11-23(17-31-26)33-41(39,40)25-14-7-21(8-15-25)28(36)37/h3-18,33H,1-2H3,(H,36,37)
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US20060122222A1_p0024_x1336_y2518_c00069
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M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 34 35 36
M SBL 1 1 39
M SMT 1 OEt
M SBV 1 39 -4.9047 3.3144
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 37 38
M SBL 2 1 42
M SMT 2 OMe
M SBV 2 42 -5.1077 2.7686
M END
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CCOC(=O)CN1N=C(c2ccc(OC)cc2)CC1c1ccc(-c2cccc3c2oc2ccccc23)cc1
|
[C][C][O][C][=Branch1][C][=O][C][N][N][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][Ring1][=N][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1]
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InChI=1S/C32H28N2O4/c1-3-37-31(35)20-34-29(19-28(33-34)22-15-17-24(36-2)18-16-22)23-13-11-21(12-14-23)25-8-6-9-27-26-7-4-5-10-30(26)38-32(25)27/h4-18,29H,3,19-20H2,1-2H3
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US20050009817A1_p0036_x1558_y0630_c00103
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0690.cdx
ChemDraw12190420292D
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M END
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O=c1[nH]c(=O)c2cc(Br)ccc2[nH]1
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[O][=C][NH1][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][NH1][Ring1][N]
|
InChI=1S/C8H5BrN2O2/c9-4-1-2-6-5(3-4)7(12)11-8(13)10-6/h1-3H,(H2,10,11,12,13)
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US20050004369A1_p0019_x0524_y1621_c00026
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0570.cdx
ChemDraw12020422452D
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M END
|
BrCc1ccc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)cc1
|
[Br][C][C][=C][C][=C][Branch2][Ring2][Branch1][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N]
|
InChI=1S/C28H21BrO/c29-19-21-10-12-22(13-11-21)23-14-16-24(17-15-23)28-25-8-4-5-9-26(25)30-27(28)18-20-6-2-1-3-7-20/h1-17H,18-19H2
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US20070155803A1_p0022_x1445_y1778_c00045
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0470.cdx
ChemDraw05240721512D
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2 12 1 1
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M END
|
C[C@H](N)C(=O)NNC(=O)NCc1ccco1
|
[C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1]
|
InChI=1S/C9H14N4O3/c1-6(10)8(14)12-13-9(15)11-5-7-3-2-4-16-7/h2-4,6H,5,10H2,1H3,(H,12,14)(H2,11,13,15)/t6-/m0/s1
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US20040266789A1_p0017_x1300_y2027_c00026
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0490.cdx
ChemDraw11280400182D
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M END
|
CC(C)(C)OC(=O)NC(CSCc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1)C(=O)O
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch2][Ring2][#C][C][S][C][C][=C][C][=C][Branch2][Ring1][S][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][O]
|
InChI=1S/C33H31NO5S/c1-33(2,3)39-32(37)34-28(31(35)36)20-40-19-21-11-13-22(14-12-21)23-15-17-24(18-16-23)25-8-6-9-27-26-7-4-5-10-29(26)38-30(25)27/h4-18,28H,19-20H2,1-3H3,(H,34,37)(H,35,36)
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US20070265270A1_p0036_x0480_y0723_c00141
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M END
|
COc1ccc(CNC2CCN(c3cnnc4cc(OC)c(OC)cc34)CC2)cc1
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[C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][N][C][C][C][N][Branch2][Ring1][#Branch1][C][=C][N][=N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][N]
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FC(F)(F)c1cccc(CN(CCCOc2cccc(NC3CCCC3)c2)CC(c2ccccc2)c2ccccc2)c1Cl
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[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][C][Branch2][Ring2][S][C][N][Branch2][Ring1][#Branch1][C][C][C][O][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][=C][Ring1][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring2][=Branch1][Cl]
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O=C1O[C@]2(CN3CCC2CC3)CN1c1cccs1
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O=C(CNc1ccccc1)N[C@@H](CSCc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1)C(=O)O
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N[C@@H](CSCc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1)C(=O)O
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[N][C@@H1][Branch2][Ring2][#C][C][S][C][C][=C][C][=C][Branch2][Ring1][S][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][O]
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M END
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O=C1O[C@]2(CN3CCC2CC3)CN1c1ccc(-c2ccccn2)s1
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M END
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NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)NNC(=O)[C@@H](N)CCc1ccccc1
|
[N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
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InChI=1S/C35H38N6O4/c36-29(21-18-24-10-4-1-5-11-24)33(43)40-41-35(45)39-31(23-25-12-6-2-7-13-25)34(44)38-30(32(37)42)22-26-16-19-28(20-17-26)27-14-8-3-9-15-27/h1-17,19-20,29-31H,18,21-23,36H2,(H2,37,42)(H,38,44)(H,40,43)(H2,39,41,45)/t29-,30-,31-/m0/s1
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US20070265270A1_p0030_x1487_y2464_c00124
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M END
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COc1cc2nncc(N3CCC(c4ccccc4)C3)c2cc1OC
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[C][O][C][=C][C][=N][N][=C][C][Branch2][Ring1][C][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=C][Ring1][P][C][=C][Ring2][Ring1][Branch1][O][C]
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InChI=1S/C20H21N3O2/c1-24-19-10-16-17(11-20(19)25-2)22-21-12-18(16)23-9-8-15(13-23)14-6-4-3-5-7-14/h3-7,10-12,15H,8-9,13H2,1-2H3
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M SMT 1 NHBoc
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M END
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COC(=O)C(CCSc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1)NC(=O)OC(C)(C)C
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[C][O][C][=Branch1][C][=O][C][Branch2][Ring2][#C][C][C][S][C][=C][C][=C][Branch2][Ring1][S][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
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InChI=1S/C34H33NO5S/c1-34(2,3)40-33(37)35-29(32(36)38-4)20-21-41-25-18-16-23(17-19-25)22-12-14-24(15-13-22)26-9-7-10-28-27-8-5-6-11-30(27)39-31(26)28/h5-19,29H,20-21H2,1-4H3,(H,35,37)
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US20050288357A1_p0049_x0502_y1379_c00090
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M END
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O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2/C=C/C(O)CC2CCCC2)cc1
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[O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][O][C][C][N][C][=Branch1][C][=O][C][C][C@@H1][Ring1][=Branch1][/C][=C][/C][Branch1][C][O][C][C][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][Branch2]
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InChI=1S/C22H29NO4/c24-20(15-17-3-1-2-4-17)11-9-19-10-12-21(25)23(19)14-13-16-5-7-18(8-6-16)22(26)27/h5-9,11,17,19-20,24H,1-4,10,12-15H2,(H,26,27)/b11-9+/t19-,20?/m0/s1
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US20040266789A1_p0023_x0402_y2516_c00042
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0660.cdx
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M END
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O=Cc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1
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[O][=C][C][=C][C][=C][Branch2][Ring1][S][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2]
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InChI=1S/C25H16O2/c26-16-17-8-10-18(11-9-17)19-12-14-20(15-13-19)21-5-3-6-23-22-4-1-2-7-24(22)27-25(21)23/h1-16H
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[C][C][=C][C][=C][C][Branch2][Ring2][Ring2][O][C][C][C][C][C][Branch2][Ring1][#Branch1][O][C][C][=C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][N][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][O][C][=Branch1][C][=O][O]
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CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CC(O)CN2CCC(N3c4ccc(Cl)cc4CNS3(=O)=O)CC2)C1
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[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][Branch2][=Branch1][C][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][N][Ring1][#C][C][C][Branch1][C][O][C][N][C][C][C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][N][S][Ring1][O][=Branch1][C][=O][=O][C][C][Ring2][Ring1][Ring1][C][Ring2][Ring2][#Branch2]
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CCCCC#CCSc1ccccc1OC(C)=O
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C#Cc1ccc(C(C)C)c(Oc2cnc(N)nc2N)c1
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COc1cc2nncc(N3CCC(Cc4ccccc4)C3)c2cc1OC
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4.1646 1.2388 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
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0.2277 -1.8327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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34 35 1 0
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42 43 1 0
42 44 1 0
42 45 1 0
M END
|
CC(C)(C)OC(=O)N1CCN(c2nc(-n3cc(C(=O)CCC(=O)O)c4cc(Br)ccc43)nc3ccc(-c4ccco4)cc23)CC1
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Branch1][=Branch2][C][=N][C][Branch2][Ring1][=C][N][C][=C][Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Ring1][P][=N][C][=C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][S][Ring1][O][C][C][Ring2][Ring2][=Branch1]
|
InChI=1S/C33H32BrN5O6/c1-33(2,3)45-32(43)38-14-12-37(13-15-38)30-23-17-20(28-5-4-16-44-28)6-8-25(23)35-31(36-30)39-19-24(27(40)10-11-29(41)42)22-18-21(34)7-9-26(22)39/h4-9,16-19H,10-15H2,1-3H3,(H,41,42)
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US20060154945A1_p0023_x0404_y2006_c00093
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0492.cdx
ChemDraw05240615182D
12 13 0 0 0 0 0 0 0 0999 V2000
0.6674 0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.0964 0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3819 1.2173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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-0.0470 -0.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.3819 -0.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0964 -0.0202 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
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11 7 2 0
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M END
|
Brc1ccc(-c2cnccn2)s1
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[Br][C][=C][C][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][S][Ring1][O]
|
InChI=1S/C8H5BrN2S/c9-8-2-1-7(12-8)6-5-10-3-4-11-6/h1-5H
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|
US20050009817A1_p0018_x0606_y1081_c00060
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0002.cdx
ChemDraw12150415482D
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-1.6352 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.2227 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2227 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9372 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6516 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6516 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9372 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6352 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1 7 1 0
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10 2 1 0
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25 28 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 4 25 26 27 28
M SBL 1 1 28
M SMT 1 SO2NH2
M SBV 1 28 -3.3617 3.6706
M END
|
NS(=O)(=O)c1ccc(Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=N][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Branch1][C][Cl][C][=C][C][Ring1][#Branch1][=N][Ring1][P][C][=C][Ring2][Ring1][Branch2]
|
InChI=1S/C20H15ClN4O2S/c21-14-6-11-18-17(12-14)19(13-4-2-1-3-5-13)25-20(24-18)23-15-7-9-16(10-8-15)28(22,26)27/h1-12H,(H2,22,26,27)(H,23,24,25)
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US20050288357A1_p0051_x1488_y2612_c00098
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0981.cdx
ChemDraw11280510432D
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0.3102 1.8213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.4536 3.0588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1681 1.8213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
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16 17 1 0
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18 20 1 0
20 21 1 0
21 22 1 0
22 23 2 0
12 24 1 0
24 25 2 0
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M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 24 25 26
M SBL 1 1 25
M SMT 1 CO2H
M SBV 1 25 -4.8020 3.3478
M END
|
C=CCOC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1
|
[C][=C][C][O][C][C@H1][Branch1][C][O][/C][=C][/C@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2]
|
InChI=1S/C20H25NO5/c1-2-13-26-14-18(22)9-7-17-8-10-19(23)21(17)12-11-15-3-5-16(6-4-15)20(24)25/h2-7,9,17-18,22H,1,8,10-14H2,(H,24,25)/b9-7+/t17-,18+/m0/s1
|
|
US20050043351A1_p0023_x0446_y1633_c00095
|
0240.cdx
ChemDraw01300508592D
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0.8761 -0.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.6070 -2.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
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6 1 1 0
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20 15 1 0
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21 22 2 0
22 23 1 0
23 17 1 0
10 24 1 0
10 25 1 0
10 26 1 0
M END
|
CC(C)(C)c1ccc2c(c1)CC[C@@H]2NC(=O)Nc1cccc2[nH]ncc12
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C@@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][NH1][N][=C][C][Ring1][=Branch2][=Ring1][Branch1]
|
InChI=1S/C21H24N4O/c1-21(2,3)14-8-9-15-13(11-14)7-10-18(15)24-20(26)23-17-5-4-6-19-16(17)12-22-25-19/h4-6,8-9,11-12,18H,7,10H2,1-3H3,(H,22,25)(H2,23,24,26)/t18-/m0/s1
|
|
US20070049758A1_p0020_x0476_y0700_c00025
|
0012.cdx
ChemDraw01130702522D
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-1.7862 1.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.3572 2.0785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 1.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 0.4285 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 1.6660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 2.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 2.9035 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 0.4285 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4842 -3.3160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.4043 -2.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -2.0465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7391 -2.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
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4 5 1 0
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6 1 1 0
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13 26 1 0
5 14 1 0
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18 19 1 0
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20 15 1 0
20 21 1 0
18 22 1 0
23 24 1 0
24 25 1 0
25 26 2 0
26 27 1 0
27 23 2 0
M END
|
COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C#Cc1ccsc1
|
[C][O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Branch1][=C][O][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][N][C][=C][Ring2][Ring1][C][C][#C][C][C][=C][S][C][=Ring1][Branch1]
|
InChI=1S/C20H20N4O2S/c1-12(2)15-9-16(25-3)14(5-4-13-6-7-27-11-13)8-17(15)26-18-10-23-20(22)24-19(18)21/h6-12H,1-3H3,(H4,21,22,23,24)
|
|
US20050004369A1_p0033_x0445_y0673_c00064
|
0013.cdx
ChemDraw12060402102D
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-2.8120 0.2022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-4.9892 0.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.1620 0.1450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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0.9769 0.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3514 0.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7680 1.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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27 28 1 0
28 29 2 0
29 30 1 0
30 31 2 0
31 26 1 0
M END
|
O=C(O)Cc1ccc(NC(=O)Cn2ccc3cc(OCc4ccccc4)ccc32)cc1
|
[O][=C][Branch1][C][O][C][C][=C][C][=C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][=C][Ring1][P][C][=C][Ring2][Ring1][O]
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InChI=1S/C25H22N2O4/c28-24(26-21-8-6-18(7-9-21)14-25(29)30)16-27-13-12-20-15-22(10-11-23(20)27)31-17-19-4-2-1-3-5-19/h1-13,15H,14,16-17H2,(H,26,28)(H,29,30)
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US20050002859A1_p0016_x1442_y1345_c00098
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0142.cdx
ChemDraw11250423522D
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3.5277 -0.4913 0.0000 R10 0 0 0 0 0 0 0 0 0 0 0 0
2.0988 -1.3163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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17 20 2 0
M END
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[10*]NC(=O)C1CCn2c(C(=O)c3ccccc3)ccc21
| null | ||
US20050004369A1_p0024_x1496_y2224_c00042
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0741.cdx
ChemDraw12020423082D
17 17 0 0 0 0 0 0 0 0999 V2000
-2.5559 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.1105 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.5395 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8250 -0.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5395 0.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
|
COC(=O)C(C)(C)CSCc1ccc(Br)cc1
|
[C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][S][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]
|
InChI=1S/C13H17BrO2S/c1-13(2,12(15)16-3)9-17-8-10-4-6-11(14)7-5-10/h4-7H,8-9H2,1-3H3
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US20070265270A1_p0029_x0456_y1284_c00114
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0610.cdx
ChemDraw10080710102D
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0.3572 -2.2687 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.2151 2.6812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9296 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
|
COc1ccc(C2CN(c3cnnc4cc(OC)c(OC)cc34)CCO2)cc1
|
[C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][C][N][Branch2][Ring1][#Branch1][C][=C][N][=N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][=C][Ring1][#Branch2][C][C][O][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2]
|
InChI=1S/C21H23N3O4/c1-25-15-6-4-14(5-7-15)21-13-24(8-9-28-21)18-12-22-23-17-11-20(27-3)19(26-2)10-16(17)18/h4-7,10-12,21H,8-9,13H2,1-3H3
|
|
US20070179177A1_p0031_x1331_y1566_c00162
|
0001.cdx
ChemDraw06230712002D
22 24 0 0 0 0 0 0 0 0999 V2000
-3.0990 -0.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0990 -1.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.0886 -0.3137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3021 0.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.9323 1.8634 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.0990 0.6967 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
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0.1250 0.2124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
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M END
|
O=S(=O)(NCc1cccc(F)c1F)c1n[nH]c2ncccc12
|
[O][=S][=Branch1][C][=O][Branch1][#C][N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][C][=N][NH1][C][=N][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]
|
InChI=1S/C13H10F2N4O2S/c14-10-5-1-3-8(11(10)15)7-17-22(20,21)13-9-4-2-6-16-12(9)18-19-13/h1-6,17H,7H2,(H,16,18,19)
|
|
US20050004369A1_p0032_x0443_y0670_c00061
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0010.cdx
ChemDraw12060402032D
37 41 0 0 0 0 0 0 0 0999 V2000
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1.4151 2.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.6526 3.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4776 3.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8901 2.4017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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28 29 1 0
29 30 2 0
30 31 1 0
31 32 2 0
32 33 1 0
33 34 2 0
34 29 1 0
11 35 1 0
35 36 2 0
35 37 1 0
M CHG 2 35 1 37 -1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 35 36 37
M SBL 1 1 39
M SMT 1 NO2
M SBV 1 39 -4.3221 5.3769
M END
|
O=C(O)CCSc1ccc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)cc1[N+](=O)[O-]
|
[O][=C][Branch1][C][O][C][C][S][C][=C][C][=C][Branch2][Ring2][Branch1][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N][N+1][=Branch1][C][=O][O-1]
|
InChI=1S/C30H23NO5S/c32-29(33)16-17-37-28-15-14-23(19-25(28)31(34)35)21-10-12-22(13-11-21)30-24-8-4-5-9-26(24)36-27(30)18-20-6-2-1-3-7-20/h1-15,19H,16-18H2,(H,32,33)
|
|
US20070117785A1_p0055_x1308_y0666_c00097
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1280.cdx
ChemDraw04060713242D
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1.1594 -2.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
29 1 1 0
1 2 1 0
1 3 1 0
3 4 1 0
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6 2 1 0
7 8 1 0
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11 7 1 0
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13 10 1 0
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14 15 1 0
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36 28 1 0
30 37 2 0
7 38 1 0
25 39 1 0
39 40 1 0
39 41 1 0
39 42 1 0
18 43 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 4 39 40 41 42
M SBL 1 1 44
M SMT 1 CF3
M SBV 1 44 -5.1679 3.0392
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 1 43
M SBL 2 1 48
M SMT 2 Me
M SBV 2 48 -5.7154 2.0878
M END
|
CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CC(O)CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][Branch2][Branch1][O][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][N][Ring1][#C][C][C][Branch1][C][O][C][N][C][C][C][Branch1][P][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][C][Ring1][S][C][Ring2][Ring2][#Branch1]
|
InChI=1S/C29H33F3N6O4S/c1-43(41,42)36-15-12-25-23(18-36)27(19-6-8-20(9-7-19)29(30,31)32)34-37(25)17-22(39)16-35-13-10-21(11-14-35)38-26-5-3-2-4-24(26)33-28(38)40/h2-9,21-22,39H,10-18H2,1H3,(H,33,40)
|
|
US20040186132A1_p0003_x0634_y1617_c00000
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0040.cdx
ChemDraw08070400062D
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0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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6 1 1 0
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10 5 1 0
M END
|
c1ccc2ncccc2c1
|
[C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]
|
InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H
|
|
US20050182067A1_p0033_x0499_y2563_c00118
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0642.cdx
ChemDraw07130516052D
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1.0717 0.6187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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M END
|
Nc1nc2c(Oc3cc(Br)ccn3)cccc2[nH]c1=O
|
[N][C][=N][C][=C][Branch1][=N][O][C][=C][C][Branch1][C][Br][=C][C][=N][Ring1][#Branch1][C][=C][C][=C][Ring1][=C][NH1][C][Ring2][Ring1][C][=O]
|
InChI=1S/C13H9BrN4O2/c14-7-4-5-16-10(6-7)20-9-3-1-2-8-11(9)18-12(15)13(19)17-8/h1-6H,(H2,15,18)(H,17,19)
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US20040254236A1_p0032_x0528_y1510_c00136
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0710.cdx
ChemDraw11150410202D
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0.3048 1.3781 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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0.9866 -0.1614 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7713 -0.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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7 9 2 0
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3 11 1 0
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14 15 1 0
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16 12 2 0
14 17 1 0
17 18 2 0
18 19 1 0
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20 21 1 0
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22 17 1 0
4 23 1 0
10 24 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 1 23
M SBL 1 1 25
M SMT 1 Me
M SBV 1 25 -5.1856 4.2978
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 1 24
M SBL 2 1 26
M SMT 2 Me
M SBV 2 26 -5.1856 2.8689
M END
|
CONC(=O)c1ccc(C)c(Nc2noc(-c3ccccc3)n2)c1
|
[C][O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Ring1][N][C][=N][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][=C][Ring2][Ring1][Ring1]
|
InChI=1S/C17H16N4O3/c1-11-8-9-13(15(22)20-23-2)10-14(11)18-17-19-16(24-21-17)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,18,21)(H,20,22)
|
|
US20060122222A1_p0028_x0540_y2207_c00083
|
0780.cdx
ChemDraw04250619582D
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-0.1114 1.5367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.1358 1.2817 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
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1 2 1 0
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13 14 1 0
14 15 1 0
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18 20 2 0
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M END
|
COC(=O)C1CC(OS(C)(=O)=O)CN1C(=O)OC(C)(C)C
|
[C][O][C][=Branch1][C][=O][C][C][C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][N][Ring1][#Branch2][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
|
InChI=1S/C12H21NO7S/c1-12(2,3)19-11(15)13-7-8(20-21(5,16)17)6-9(13)10(14)18-4/h8-9H,6-7H2,1-5H3
|
|
US20050002859A1_p0015_x0459_y0621_c00087
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0110.cdx
ChemDraw11260400092D
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1.1311 1.4929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.3447 2.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5218 2.1335 0.0000 R7 0 0 0 0 0 0 0 0 0 0 0 0
0.7613 2.8732 0.0000 R8 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
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12 21 2 0
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M END
|
[2*]NC(=O)Cc1c(C)n(C(=O)c2ccc([7*])cc2[8*])c2ccc(OC)cc12
| null | ||
US20050009817A1_p0037_x0548_y0637_c00105
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0700.cdx
ChemDraw12190420302D
17 19 0 0 0 0 0 0 0 0999 V2000
-0.8890 1.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.9689 0.2223 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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1.2544 1.4598 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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2.6834 1.4598 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.2544 -1.0152 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.4284 -0.1902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6834 -0.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0159 -1.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3485 -0.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
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M END
|
Clc1nc(Cl)c2cc(-c3ccco3)ccc2n1
|
[Cl][C][=N][C][Branch1][C][Cl][=C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][Ring1][O][=N][Ring1][S]
|
InChI=1S/C12H6Cl2N2O/c13-11-8-6-7(10-2-1-5-17-10)3-4-9(8)15-12(14)16-11/h1-6H
|
|
US20070117785A1_p0056_x0335_y0862_c00100
|
1290.cdx
ChemDraw04060713302D
43 48 0 0 0 0 0 0 0 0999 V2000
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2.9216 0.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6687 0.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8689 1.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3220 2.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6276 0.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-4.5729 -2.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.1594 -2.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6165 1.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6165 2.5119 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.4415 1.6869 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.6165 0.8619 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
29 1 1 0
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25 40 1 0
40 41 1 0
40 42 1 0
40 43 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 1 39
M SBL 1 1 44
M SMT 1 Me
M SBV 1 44 -5.7154 2.1209
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 4 40 41 42 43
M SBL 2 1 45
M SMT 2 CF3
M SBV 2 45 -5.1679 3.0724
M END
|
CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CCCN2CCC(n3c(=O)[nH]c4ccc(Cl)cc43)CC2)C1
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][Branch2][Branch1][N][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][N][Ring1][#C][C][C][C][N][C][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][O][C][C][Ring1][P][C][Ring2][Ring2][#Branch1]
|
InChI=1S/C29H32ClF3N6O3S/c1-43(41,42)37-16-11-25-23(18-37)27(19-3-5-20(6-4-19)29(31,32)33)35-38(25)13-2-12-36-14-9-22(10-15-36)39-26-17-21(30)7-8-24(26)34-28(39)40/h3-8,17,22H,2,9-16,18H2,1H3,(H,34,40)
|
|
US20070105909A1_p0019_x0590_y2895_c00030
|
0331.cdx
ChemDraw03260715332D
12 13 0 0 0 0 0 0 0 0999 V2000
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0.0000 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.7145 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8414 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2539 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2539 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8414 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -1.0313 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
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2 6 2 0
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5 8 1 0
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1 10 1 0
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11 1 1 0
3 12 1 0
M END
|
O=C(C1CC1)C(Cl)C(=O)C1CC1
|
[O][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Branch1][C][Cl][C][=Branch1][C][=O][C][C][C][Ring1][Ring1]
|
InChI=1S/C9H11ClO2/c10-7(8(11)5-1-2-5)9(12)6-3-4-6/h5-7H,1-4H2
|
|
US20070105909A1_p0019_x1616_y1720_c00031
|
0340.cdx
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O=C(Cc1ccccc1)N[C@@H](CSCc1ccc(-c2ccc(-n3ccc4ccccc43)cc2)cc1)C(=O)O
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C#Cc1cc(Oc2cnc(NC(CO)CO)nc2N)c(C(C)C)cc1OC
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Cn1ccc2c3c(NCCCO)nc(N)nc3cc(-c3cccs3)c21
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[C][N][C][=C][C][=C][C][Branch1][=Branch1][N][C][C][C][O][=N][C][Branch1][C][N][=N][C][Ring1][N][=C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=C][Ring2][Ring1][Branch1][Ring2][Ring1][Branch2]
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US20070105909A1_p0033_x0443_y2317_c00104
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0501.cdx
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N#Cc1ccc(Oc2c(C3CC3)nn(CS(=O)(=O)C(F)(F)F)c2C2CC2)cc1
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[N][#C][C][=C][C][=C][Branch2][Ring2][#Branch1][O][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][N][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=Ring1][S][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][#Branch2]
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0431.cdx
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CC[C@H](N)C(=O)NNC(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(N)=O
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[C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][N][=O]
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InChI=1S/C24H31ClN6O4/c1-2-18(26)22(33)30-31-24(35)29-19(13-10-15-6-4-3-5-7-15)23(34)28-20(21(27)32)14-16-8-11-17(25)12-9-16/h3-9,11-12,18-20H,2,10,13-14,26H2,1H3,(H2,27,32)(H,28,34)(H,30,33)(H2,29,31,35)/t18-,19-,20-/m0/s1
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US20070270434A1_p0020_x0404_y0661_c00048
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C[C@@H]1CN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C[C@H](C)N1S(=O)(=O)c1cccc2c1CC(C(=O)O)C2
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[C][C@@H1][C][N][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][C@H1][Branch1][C][C][N][Ring2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][Branch2]
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InChI=1S/C23H25F3N2O7S2/c1-14-12-27(36(31,32)19-8-6-18(7-9-19)35-23(24,25)26)13-15(2)28(14)37(33,34)21-5-3-4-16-10-17(22(29)30)11-20(16)21/h3-9,14-15,17H,10-13H2,1-2H3,(H,29,30)/t14-,15+,17?
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US20050009817A1_p0037_x1367_y2496_c00108
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COc1ccc(Nc2nc(-n3cc(C(=O)CCC(=O)O)c4cc(Br)ccc43)nc3ccc(-c4ccco4)cc23)cc1
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[C][O][C][=C][C][=C][Branch2][Branch1][#Branch2][N][C][=N][C][Branch2][Ring1][=C][N][C][=C][Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Ring1][P][=N][C][=C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][S][Ring1][O][C][=C][Ring2][Ring2][#Branch1]
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US20070179154A1_p0055_x0501_y1159_c00114
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2050.cdx
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O=C(O)Cc1c(-c2cccc(Br)c2)c2cc(CBr)c(Cl)cc2oc1=O
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[O][=C][Branch1][C][O][C][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=C][C][Branch1][Ring1][C][Br][=C][Branch1][C][Cl][C][=C][Ring1][=Branch2][O][C][Ring2][Ring1][Ring2][=O]
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InChI=1S/C18H11Br2ClO4/c19-8-10-5-12-15(7-14(10)21)25-18(24)13(6-16(22)23)17(12)9-2-1-3-11(20)4-9/h1-5,7H,6,8H2,(H,22,23)
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US20050054819A1_p0016_x1313_y0760_c00053
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0420.cdx
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M END
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CCCC[C@H](NC(=O)OC1(Cc2ccccc2)CCCC1)C(=O)C(=O)N[C@H](C)c1ccccc1
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[C][C][C][C][C@H1][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
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InChI=1S/C28H36N2O4/c1-3-4-17-24(25(31)26(32)29-21(2)23-15-9-6-10-16-23)30-27(33)34-28(18-11-12-19-28)20-22-13-7-5-8-14-22/h5-10,13-16,21,24H,3-4,11-12,17-20H2,1-2H3,(H,29,32)(H,30,33)/t21-,24+/m1/s1
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US20050002859A1_p0038_x0344_y0823_c00135
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M END
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COc1ccc2c(c1)c(CC(=O)NCCNC(=O)c1ccc(C)cc1)c(C)n2C(=O)c1ccc(Cl)cc1
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[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch2][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Branch1][C][C][N][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
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InChI=1S/C29H28ClN3O4/c1-18-4-6-20(7-5-18)28(35)32-15-14-31-27(34)17-24-19(2)33(26-13-12-23(37-3)16-25(24)26)29(36)21-8-10-22(30)11-9-21/h4-13,16H,14-15,17H2,1-3H3,(H,31,34)(H,32,35)
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US20050182067A1_p0035_x1341_y2633_c00132
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0692.cdx
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CC(c1ccc(F)cc1)N1CCN(c2cc(Nc3ccc4c(c3)NC(=O)CC4)ncn2)CC1
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[C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][N][Branch2][Ring1][P][C][=C][C][Branch2][Ring1][Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][Ring1][Branch2][=N][C][=N][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch2]
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InChI=1S/C25H27FN6O/c1-17(18-2-6-20(26)7-3-18)31-10-12-32(13-11-31)24-15-23(27-16-28-24)29-21-8-4-19-5-9-25(33)30-22(19)14-21/h2-4,6-8,14-17H,5,9-13H2,1H3,(H,30,33)(H,27,28,29)
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COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C#CCCCO
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InChI=1S/C19H24N4O3/c1-12(2)14-10-15(25-3)13(7-5-4-6-8-24)9-16(14)26-17-11-22-19(21)23-18(17)20/h9-12,24H,4,6,8H2,1-3H3,(H4,20,21,22,23)
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US20060122222A1_p0030_x0491_y2020_c00089
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-0.7942 -1.9436 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0797 -1.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0797 -0.7061 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6348 -1.9436 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6348 -2.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3492 -3.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.0637 -1.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3492 -1.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7782 -3.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.4927 -1.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.2231 -2.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1 2 1 0
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M END
|
O=C(O)CCC(=O)c1cn(-c2nc(N3CCCC3)nc(N3CCc4ccccc4C3)n2)c2ccc(Br)cc12
|
[O][=C][Branch1][C][O][C][C][C][=Branch1][C][=O][C][=C][N][Branch2][Ring2][Ring1][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][C][Branch1][#C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=N][Ring2][Ring1][Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring2][Ring1][#C][Ring1][#Branch1]
|
InChI=1S/C28H27BrN6O3/c29-20-7-8-23-21(15-20)22(24(36)9-10-25(37)38)17-35(23)28-31-26(33-12-3-4-13-33)30-27(32-28)34-14-11-18-5-1-2-6-19(18)16-34/h1-2,5-8,15,17H,3-4,9-14,16H2,(H,37,38)
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US20050182067A1_p0037_x1388_y0587_c00140
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0721.cdx
ChemDraw07110517322D
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0.2679 -0.5664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2679 -1.1851 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8038 -1.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3396 -1.1851 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3396 -0.5664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8038 -0.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.9472 -1.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.8755 1.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.0189 0.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4830 0.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.4830 1.4945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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5 8 1 0
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10 11 1 0
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12 13 1 0
13 14 1 0
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15 16 1 0
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27 22 2 0
8 28 1 0
26 29 1 0
29 30 1 0
30 31 1 0
31 32 1 0
32 27 1 0
31 33 2 0
M END
|
CC(c1ccc(F)cc1)N1CCN(c2cc(Nc3cccc4c3NC(=O)CO4)ncn2)CC1
|
[C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][N][Branch2][Ring1][#C][C][=C][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][Ring1][#Branch1][=N][C][=N][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch2]
|
InChI=1S/C24H25FN6O2/c1-16(17-5-7-18(25)8-6-17)30-9-11-31(12-10-30)22-13-21(26-15-27-22)28-19-3-2-4-20-24(19)29-23(32)14-33-20/h2-8,13,15-16H,9-12,14H2,1H3,(H,29,32)(H,26,27,28)
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US20070155803A1_p0002_x1503_y1997_c00000
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0040.cdx
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1.0717 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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2 3 2 0
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10 6 1 0
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4 12 1 0
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10 14 2 0
7 15 1 0
M END
|
[1*]C([2*])(N)C(=O)N([3*])N([4*])C(=O)N([5*])[6*]
| null | ||
US20070105909A1_p0034_x0460_y1063_c00106
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0511.cdx
ChemDraw03260715432D
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1 2 2 0
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A 20
Rx
M END
|
CS(=O)(=O)Cn1nc(C2CC2)c(Oc2ccc(C#N)cc2)c1C1CC1
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Branch1][=C][O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=C][Ring1][P][C][C][C][Ring1][Ring1]
|
InChI=1S/C18H19N3O3S/c1-25(22,23)11-21-17(14-6-7-14)18(16(20-21)13-4-5-13)24-15-8-2-12(10-19)3-9-15/h2-3,8-9,13-14H,4-7,11H2,1H3
|
|
US20040266789A1_p0032_x1441_y0828_c00055
|
0960.cdx
ChemDraw12020408102D
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0.2430 -2.4175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2430 -1.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
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M END
|
O=S(=O)(Oc1ccc(-c2c(Cc3ccccc3)oc3ccccc23)cc1)C(F)(F)F
|
[O][=S][=Branch1][C][=O][Branch2][Ring2][=Branch1][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F]
|
InChI=1S/C22H15F3O4S/c23-22(24,25)30(26,27)29-17-12-10-16(11-13-17)21-18-8-4-5-9-19(18)28-20(21)14-15-6-2-1-3-7-15/h1-13H,14H2
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|
US20070117785A1_p0041_x0336_y1965_c00080
|
0900.cdx
ChemDraw03300712422D
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M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 4 38 39 40 41
M SBL 1 1 43
M SMT 1 CF3
M SBV 1 43 -5.2392 2.9641
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 1 42
M SBL 2 1 47
M SMT 2 Me
M SBV 2 47 -5.2421 2.6051
M END
|
CC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CC(O)CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)C1
|
[C][C][=Branch1][C][=O][N][C][C][C][=C][Branch2][Branch1][O][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][N][Ring1][#C][C][C][Branch1][C][O][C][N][C][C][C][Branch1][P][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2][C][C][Ring1][S][C][Ring2][Ring2][#Branch1]
|
InChI=1S/C30H31ClF3N5O3/c1-18(40)38-13-10-26-24(17-38)28(19-2-4-21(5-3-19)30(32,33)34)36-39(26)16-23(41)15-37-11-8-20(9-12-37)29-35-25-14-22(31)6-7-27(25)42-29/h2-7,14,20,23,41H,8-13,15-17H2,1H3
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US20070249620A1_p0041_x0517_y1970_c00038
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M END
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[1*]NC(=O)Nc1ccc(C2=CCN(*[2*])CC2)cc1
| null | ||
US20070155803A1_p0021_x1410_y2837_c00041
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0450.cdx
ChemDraw05240722232D
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M END
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C[C@H](N)C(=O)NNC(=O)N(C)CCc1ccccc1
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[C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
InChI=1S/C13H20N4O2/c1-10(14)12(18)15-16-13(19)17(2)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9,14H2,1-2H3,(H,15,18)(H,16,19)/t10-/m0/s1
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US20070270434A1_p0019_x0341_y1083_c00044
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00047001.cdx
ChemDraw06290714152D
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M STY 1 1 SUP
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|
C[C@@H]1CN(C(=O)Cc2ccc(OC(F)(F)F)cc2)C[C@H](C)N1S(=O)(=O)c1cccc2c1CC(C(=O)O)C2
|
[C][C@@H1][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][C@H1][Branch1][C][C][N][Ring2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][Branch2]
|
InChI=1S/C25H27F3N2O6S/c1-15-13-29(23(31)10-17-6-8-20(9-7-17)36-25(26,27)28)14-16(2)30(15)37(34,35)22-5-3-4-18-11-19(24(32)33)12-21(18)22/h3-9,15-16,19H,10-14H2,1-2H3,(H,32,33)/t15-,16+,19?
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US20070249620A1_p0039_x0488_y1530_c00035
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0004.cdx
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M END
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[1*]NC(=O)Nc1ccc(C2CCN(*[2*])CC2)cc1
| null | ||
US20060154945A1_p0018_x0402_y0713_c00063
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0382.cdx
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M END
|
O=C1O[C@]2(CN3CCC2CC3)CN1c1ccc(-c2ccccn2)o1
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[O][=C][O][C@][Branch1][N][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][C][N][Ring1][N][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][O][Ring1][O]
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InChI=1S/C18H19N3O3/c22-17-21(12-18(24-17)11-20-9-6-13(18)7-10-20)16-5-4-15(23-16)14-3-1-2-8-19-14/h1-5,8,13H,6-7,9-12H2/t18-/m1/s1
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US20050004369A1_p0026_x1307_y2432_c00046
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0080.cdx
ChemDraw12020423152D
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M END
|
CN(CC(=O)O)S(=O)(=O)c1ccc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)cc1F
|
[C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Branch1][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N][F]
|
InChI=1S/C30H24FNO5S/c1-32(19-29(33)34)38(35,36)28-16-15-23(18-25(28)31)21-11-13-22(14-12-21)30-24-9-5-6-10-26(24)37-27(30)17-20-7-3-2-4-8-20/h2-16,18H,17,19H2,1H3,(H,33,34)
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US20050004369A1_p0034_x0443_y1040_c00069
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0018.cdx
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M END
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Cc1ccc2c(ccn2-c2ccc(-c3ccc(C(=O)N(CC(=O)O)Cc4ccccc4)cc3)cc2)c1
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[C][C][=C][C][=C][C][Branch2][Branch1][Ring2][C][=C][N][Ring1][Branch1][C][=C][C][=C][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2][=C][Ring2][Ring2][Ring1]
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M SMT 1 CO2H
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O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2ccccc2)cc1
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[O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][N][C][C][N][C][=Branch1][C][=O][C][C][C@@H1][Ring1][=Branch1][/C][=C][/C@@H1][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2]
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InChI=1S/C23H25NO4/c25-21(16-18-4-2-1-3-5-18)12-10-20-11-13-22(26)24(20)15-14-17-6-8-19(9-7-17)23(27)28/h1-10,12,20-21,25H,11,13-16H2,(H,27,28)/b12-10+/t20-,21+/m0/s1
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US20040266789A1_p0047_x1447_y1428_c00080
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1420.cdx
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COC(=O)C(C/C=C/c1ccc(Br)cc1)NC(=O)OC(C)(C)C
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[C][O][C][=Branch1][C][=O][C][Branch1][#C][C][/C][=C][/C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
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InChI=1S/C17H22BrNO4/c1-17(2,3)23-16(21)19-14(15(20)22-4)7-5-6-12-8-10-13(18)11-9-12/h5-6,8-11,14H,7H2,1-4H3,(H,19,21)/b6-5+
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US20070179154A1_p0041_x1376_y2190_c00054
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Cc1cc2c(-c3ccc(Br)cc3)c(CC(=O)Nc3ccc(F)cc3C(F)(F)F)c(=O)oc2cc1Cl
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[C][C][=C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][Branch2][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][O][C][=Ring2][Ring1][=N][C][=C][Ring2][Ring1][P][Cl]
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InChI=1S/C25H15BrClF4NO3/c1-12-8-16-21(11-19(12)27)35-24(34)17(23(16)13-2-4-14(26)5-3-13)10-22(33)32-20-7-6-15(28)9-18(20)25(29,30)31/h2-9,11H,10H2,1H3,(H,32,33)
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US20070265270A1_p0026_x0478_y1543_c00104
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M END
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COc1cc2nncc(-n3ncc4cc(-c5ccncc5)ccc43)c2cc1OC
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[C][O][C][=C][C][=N][N][=C][C][Branch2][Ring1][Branch2][N][N][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][N][Ring1][#C][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch2][O][C]
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InChI=1S/C22H17N5O2/c1-28-21-10-17-18(11-22(21)29-2)26-24-13-20(17)27-19-4-3-15(9-16(19)12-25-27)14-5-7-23-8-6-14/h3-13H,1-2H3
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US20050267177A1_p0024_x1303_y2508_c00082
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0780.cdx
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M END
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Cc1cccc(CC[C@@H]2CCC[C@H](OCc3coc(-c4ccc(F)cc4)n3)C2)c1C(=O)O
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[C][C][=C][C][=C][C][Branch2][Ring2][Branch1][C][C][C@@H1][C][C][C][C@H1][Branch2][Ring1][#Branch1][O][C][C][=C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][N][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][N][C][=Branch1][C][=O][O]
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InChI=1S/C26H28FNO4/c1-17-4-2-6-19(24(17)26(29)30)9-8-18-5-3-7-23(14-18)31-15-22-16-32-25(28-22)20-10-12-21(27)13-11-20/h2,4,6,10-13,16,18,23H,3,5,7-9,14-15H2,1H3,(H,29,30)/t18-,23-/m0/s1
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US20050288357A1_p0012_x0522_y0533_c00012
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10 11 1 0
11 12 1 0
12 13 1 0
3 14 1 0
14 15 1 0
15 19 1 0
13 16 1 0
9 17 1 6
18 19 2 0
19 20 1 0
20 21 1 0
21 22 2 0
22 18 1 0
21 23 1 0
23 24 2 0
23 25 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 23 24 25
M SBL 1 1 24
M SMT 1 CO2H
M SBV 1 24 -4.7286 1.8393
M END
|
CCCCC[C@H](O)/C=C/C1CCC(=O)N1CCc1ccc(C(=O)O)s1
|
[C][C][C][C][C][C@H1][Branch1][C][O][/C][=C][/C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][S][Ring1][Branch2]
|
InChI=1S/C19H27NO4S/c1-2-3-4-5-15(21)8-6-14-7-11-18(22)20(14)13-12-16-9-10-17(25-16)19(23)24/h6,8-10,14-15,21H,2-5,7,11-13H2,1H3,(H,23,24)/b8-6+/t14?,15-/m0/s1
|
|
US20050043351A1_p0018_x1549_y1931_c00057
|
0160.cdx
ChemDraw01300508402D
14 15 0 0 0 0 0 0 0 0999 V2000
-0.4369 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4369 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2775 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9920 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9920 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2775 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2216 0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7065 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2216 -0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2775 1.6500 0.0000 R9 0 0 0 0 0 0 0 0 0 0 0 0
1.7065 0.8250 0.0000 R10 0 0 0 0 0 0 0 0 0 0 0 0
1.7065 -0.8250 0.0000 R11 0 0 0 0 0 0 0 0 0 0 0 0
0.2775 -1.6500 0.0000 R12 0 0 0 0 0 0 0 0 0 0 0 0
-1.6341 -1.3819 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
1 7 1 0
7 8 1 0
8 9 1 0
9 2 1 0
6 10 1 0
5 11 1 0
4 12 1 0
3 13 1 0
9 14 1 6
M END
|
[9*]c1c([10*])c([11*])c([12*])c2c1CC[C@H]2N
| null | ||
US20070155803A1_p0029_x1439_y2706_c00074
|
0612.cdx
ChemDraw05240722272D
24 25 0 0 0 0 0 0 0 0999 V2000
-0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
3 4 1 0
5 6 1 0
6 7 1 0
5 8 1 0
8 1 1 0
3 9 1 0
9 2 1 0
1 10 2 0
6 11 2 0
7 12 1 0
7 13 1 1
13 14 1 0
3 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
18 4 2 0
4 19 1 0
19 20 1 0
20 21 1 0
21 22 1 0
22 23 1 0
23 24 1 0
24 19 1 0
M END
|
CC[C@H](N)C(=O)NNC(=O)NCc1ccccc1N1CCOCC1
|
[C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1]
|
InChI=1S/C16H25N5O3/c1-2-13(17)15(22)19-20-16(23)18-11-12-5-3-4-6-14(12)21-7-9-24-10-8-21/h3-6,13H,2,7-11,17H2,1H3,(H,19,22)(H2,18,20,23)/t13-/m0/s1
|
|
US20070105909A1_p0024_x1463_y2489_c00059
|
0390.cdx
ChemDraw03250720042D
18 19 0 0 0 0 0 0 0 0999 V2000
-3.2058 1.5451 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.4089 1.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6120 1.1180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0286 1.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2317 1.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0182 0.6910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6016 0.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3985 0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7787 0.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7768 -1.3994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7768 -0.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9922 -0.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5073 -0.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9922 -1.6543 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3177 -0.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7302 -1.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4913 -0.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2058 -0.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 3 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
8 3 1 0
6 9 1 0
9 12 1 0
10 11 2 0
11 12 1 0
12 13 2 0
13 14 1 0
14 10 1 0
13 15 1 0
15 16 1 0
11 17 1 0
17 18 1 0
M END
|
CCc1n[nH]c(CC)c1Cc1ccc(C#N)cc1
|
[C][C][C][=N][NH1][C][Branch1][Ring1][C][C][=C][Ring1][#Branch1][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2]
|
InChI=1S/C15H17N3/c1-3-14-13(15(4-2)18-17-14)9-11-5-7-12(10-16)8-6-11/h5-8H,3-4,9H2,1-2H3,(H,17,18)
|
|
US20040229890A1_p0017_x0523_y1547_c00076
|
0382.cdx
ChemDraw10200413302D
25 28 0 0 0 0 0 0 0 0999 V2000
-0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3276 1.3770 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.9920 2.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1715 2.0445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1526 1.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 2 0
5 6 1 0
6 1 2 0
1 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 2 1 0
5 11 1 0
3 12 1 0
9 13 1 0
13 14 1 0
14 15 2 0
15 10 1 0
8 16 1 0
12 17 1 0
13 18 1 0
16 19 2 0
19 20 1 0
20 21 2 0
21 22 1 0
22 23 2 0
23 16 1 0
19 24 1 0
24 25 1 0
M END
|
CNc1nc(N)nc2cc(-c3ccccc3OC)c3c(ccn3C)c12
|
[C][N][C][=N][C][Branch1][C][N][=N][C][=C][C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][Branch1][#Branch1][C][=C][N][Ring1][Branch1][C][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][C]
|
InChI=1S/C19H19N5O/c1-21-18-16-12-8-9-24(2)17(12)13(10-14(16)22-19(20)23-18)11-6-4-5-7-15(11)25-3/h4-10H,1-3H3,(H3,20,21,22,23)
|
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