 | | BVB | | Name: | 5-[(E)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol | | Formula: | C14 H11 Br O2 | | SMILES: | Brc2ccc(/C=C/c1cc(O)cc(O)c1)cc2 | | InChi: | InChI=1S/C14H11BrO2/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,16-17H/b2-1+ | | Definition date: | 2013-09-20 | | Last modified: | 2013-11-15 | | Release date: | 2013-11-20 | | Identifier: | 5-[(E)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol |
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 | | HPW | | Name: | N-[3-(1-Hydroxy-6-oxo-4-phenyl-1,6-dihydro-pyridin-2-yl)-5-methanesulfonylamino-phenyl]-methanesulfonamide | | Formula: | C19 H19 N3 O6 S2 | | SMILES: | O=C3C=C(c1ccccc1)C=C(c2cc(NS(=O)(=O)C)cc(NS(=O)(=O)C)c2)N3O | | InChi: | InChI=1S/C19H19N3O6S2/c1-29(25,26)20-16-8-15(9-17(12-16)21-30(2,27)28)18-10-14(11-19(23)22(18)24)13-6-4-3-5-7-13/h3-12,20-21,24H,1-2H3 | | Definition date: | 2012-11-14 | | Last modified: | 2013-11-01 | | Release date: | 2013-11-06 | | Identifier: | N,N'-[5-(1-hydroxy-6-oxo-4-phenyl-1,6-dihydropyridin-2-yl)benzene-1,3-diyl]dimethanesulfonamide |
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 | | E1E | | Name: | 2-chloro-4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide | | Formula: | C14 H14 Cl N3 O3 S2 | | SMILES: | O=S(=O)(N)c2ccc(C(=O)CSc1nc(cc(n1)C)C)cc2Cl | | InChi: | InChI=1S/C14H14ClN3O3S2/c1-8-5-9(2)18-14(17-8)22-7-12(19)10-3-4-13(11(15)6-10)23(16,20)21/h3-6H,7H2,1-2H3,(H2,16,20,21) | | Definition date: | 2013-05-23 | | Last modified: | 2013-11-01 | | Release date: | 2013-11-06 | | Identifier: | 2-chloro-4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide |
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 | | E1F | | Name: | 2-chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide | | Formula: | C12 H10 Cl N3 O3 S2 | | SMILES: | O=S(=O)(N)c2ccc(C(=O)CSc1ncccn1)cc2Cl | | InChi: | InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19) | | Definition date: | 2013-05-27 | | Last modified: | 2013-11-01 | | Release date: | 2013-11-06 | | Identifier: | 2-chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide |
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 | | E1G | | Name: | 3-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide | | Formula: | C12 H11 N3 O3 S2 | | SMILES: | O=S(=O)(N)c2cccc(C(=O)CSc1ncccn1)c2 | | InChi: | InChI=1S/C12H11N3O3S2/c13-20(17,18)10-4-1-3-9(7-10)11(16)8-19-12-14-5-2-6-15-12/h1-7H,8H2,(H2,13,17,18) | | Definition date: | 2013-05-28 | | Last modified: | 2013-11-01 | | Release date: | 2013-11-06 | | Identifier: | 3-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide |
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 | | 1UZ | | Name: | 4-(4-oxo-4H-chromen-2-yl)benzonitrile | | Formula: | C16 H9 N O2 | | SMILES: | N#Cc3ccc(C=2Oc1ccccc1C(=O)C=2)cc3 | | InChi: | InChI=1S/C16H9NO2/c17-10-11-5-7-12(8-6-11)16-9-14(18)13-3-1-2-4-15(13)19-16/h1-9H | | Definition date: | 2013-06-13 | | Last modified: | 2013-10-25 | | Release date: | 2013-10-30 | | Identifier: | 4-(4-oxo-4H-chromen-2-yl)benzonitrile |
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 | | 16Q | | Name: | ethoxybenzene | | Formula: | C8 H10 O | | SMILES: | ethyl phenyl ether | | InChi: | InChI=1S/C8H10O/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3 | | Definition date: | 2012-10-22 | | Last modified: | 2013-10-25 | | Release date: | 2013-10-30 | | Identifier: | ethoxybenzene |
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 | | JAF | | Name: | N-(4-hydroxy-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide | | Formula: | C15 H17 N O4 S | | SMILES: | O=S(=O)(Nc1c(cc(O)cc1C)C)c2ccc(OC)cc2 | | InChi: | InChI=1S/C15H17NO4S/c1-10-8-12(17)9-11(2)15(10)16-21(18,19)14-6-4-13(20-3)5-7-14/h4-9,16-17H,1-3H3 | | Definition date: | 2013-03-21 | | Last modified: | 2013-10-18 | | Release date: | 2013-10-23 | | Identifier: | N-(4-hydroxy-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide |
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 | | HRC | | Name: | N-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide | | Formula: | C14 H15 N O3 S | | SMILES: | O=S(=O)(Nc1c(cc(O)cc1C)C)c2ccccc2 | | InChi: | InChI=1S/C14H15NO3S/c1-10-8-12(16)9-11(2)14(10)15-19(17,18)13-6-4-3-5-7-13/h3-9,15-16H,1-2H3 | | Definition date: | 2013-04-09 | | Last modified: | 2013-10-18 | | Release date: | 2013-10-23 | | Identifier: | N-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide |
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 | | 1W4 | | Name: | S-(4-fluorophenyl) 3-(dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzenecarbothioate | | Formula: | C25 H24 F N O2 S | | SMILES: | O=C(Sc1ccc(F)cc1)c3cc(C=Cc2cc(c(O)c(c2)C)C)cc(N(C)C)c3 | | InChi: | InChI=1S/C25H24FNO2S/c1-16-11-18(12-17(2)24(16)28)5-6-19-13-20(15-22(14-19)27(3)4)25(29)30-23-9-7-21(26)8-10-23/h5-15,28H,1-4H3/b6-5+ | | Definition date: | 2013-06-27 | | Last modified: | 2013-09-27 | | Release date: | 2013-10-02 | | Identifier: | S-(4-fluorophenyl) 3-(dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzenecarbothioate |
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 | | XQC | | Name: | 4-[(1R)-1-hydroxy-2-{[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]amino}ethyl]benzene-1,2-diol | | Formula: | C18 H23 N O4 | | SMILES: | Oc1ccc(cc1O)C(O)CNC(C)(C)Cc2ccc(O)cc2 | | InChi: | InChI=1S/C18H23NO4/c1-18(2,10-12-3-6-14(20)7-4-12)19-11-17(23)13-5-8-15(21)16(22)9-13/h3-9,17,19-23H,10-11H2,1-2H3/t17-/m0/s1 | | Definition date: | 2013-07-12 | | Last modified: | 2013-09-20 | | Release date: | 2013-09-25 | | Identifier: | 4-[(1R)-1-hydroxy-2-{[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]amino}ethyl]benzene-1,2-diol |
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 | | 28B | | Name: | 3-(5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl)benzonitrile | | Formula: | C12 H8 N2 O2 | | SMILES: | O=C2C(O)=CC(c1cccc(C#N)c1)=CN2 | | InChi: | InChI=1S/C12H8N2O2/c13-6-8-2-1-3-9(4-8)10-5-11(15)12(16)14-7-10/h1-5,7,15H,(H,14,16) | | Definition date: | 2013-09-06 | | Last modified: | 2013-09-20 | | Release date: | 2013-09-25 | | Identifier: | 3-(5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl)benzonitrile |
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 | | 5GZ | | Name: | 4-(2-chloro-6-nitrophenoxy)-N-[2-(diethylamino)ethyl]benzenesulfonamide | | Formula: | C18 H22 Cl N3 O5 S | | SMILES: | Clc2cccc(c2Oc1ccc(cc1)S(=O)(=O)NCCN(CC)CC)N(=O)=O | | InChi: | InChI=1S/C18H22ClN3O5S/c1-3-21(4-2)13-12-20-28(25,26)15-10-8-14(9-11-15)27-18-16(19)6-5-7-17(18)22(23)24/h5-11,20H,3-4,12-13H2,1-2H3 | | Definition date: | 2013-06-18 | | Last modified: | 2013-09-06 | | Release date: | 2013-09-11 | | Identifier: | 4-(2-chloro-6-nitrophenoxy)-N-[2-(diethylamino)ethyl]benzenesulfonamide |
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 | | 1RE | | Name: | 4-({4-methoxy-6-[2-(morpholin-4-yl)ethoxy]-1,3,5-triazin-2-yl}amino)-2-(3-methylbutoxy)benzonitrile | | Formula: | C22 H30 N6 O4 | | SMILES: | N#Cc1ccc(cc1OCCC(C)C)Nc3nc(OCCN2CCOCC2)nc(OC)n3 | | InChi: | InChI=1S/C22H30N6O4/c1-16(2)6-10-31-19-14-18(5-4-17(19)15-23)24-20-25-21(29-3)27-22(26-20)32-13-9-28-7-11-30-12-8-28/h4-5,14,16H,6-13H2,1-3H3,(H,24,25,26,27) | | Definition date: | 2013-05-07 | | Last modified: | 2013-08-09 | | Release date: | 2013-08-14 | | Identifier: | 4-({4-methoxy-6-[2-(morpholin-4-yl)ethoxy]-1,3,5-triazin-2-yl}amino)-2-(3-methylbutoxy)benzonitrile |
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 | | JLJ | | Name: | 4-[(4-methoxypyrimidin-2-yl)amino]-2-[(3-methylbut-2-en-1-yl)oxy]benzonitrile | | Formula: | C17 H18 N4 O2 | | SMILES: | N#Cc1ccc(cc1OCC=C(/C)C)Nc2nc(OC)ccn2 | | InChi: | InChI=1S/C17H18N4O2/c1-12(2)7-9-23-15-10-14(5-4-13(15)11-18)20-17-19-8-6-16(21-17)22-3/h4-8,10H,9H2,1-3H3,(H,19,20,21) | | Definition date: | 2013-05-14 | | Last modified: | 2013-08-09 | | Release date: | 2013-08-14 | | Identifier: | 4-[(4-methoxypyrimidin-2-yl)amino]-2-[(3-methylbut-2-en-1-yl)oxy]benzonitrile |
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 | | 1M3 | | Name: | N-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide | | Formula: | C26 H35 N7 O2 S | | SMILES: | O=S(=O)(NC(C)(C)C)c1cccc(c1)Nc2nc(ncc2C)Nc3ccc(cc3)N4CCN(C)CC4 | | InChi: | InChI=1S/C26H35N7O2S/c1-19-18-27-25(29-20-9-11-22(12-10-20)33-15-13-32(5)14-16-33)30-24(19)28-21-7-6-8-23(17-21)36(34,35)31-26(2,3)4/h6-12,17-18,31H,13-16H2,1-5H3,(H2,27,28,29,30) | | Definition date: | 2013-03-26 | | Last modified: | 2013-08-02 | | Release date: | 2013-08-07 | | Identifier: | N-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide |
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 | | PBX | | Name: | 4-bromobenzene-1,2,3-triol | | Formula: | C6 H5 Br O3 | | SMILES: | Brc1ccc(O)c(O)c1O | | InChi: | InChI=1S/C6H5BrO3/c7-3-1-2-4(8)6(10)5(3)9/h1-2,8-10H | | Definition date: | 2012-07-30 | | Last modified: | 2013-07-19 | | Release date: | 2013-07-24 | | Identifier: | 4-bromobenzene-1,2,3-triol |
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 | | 1E9 | | Name: | N-(6-{4-[(4'-chlorobiphenyl-2-yl)methyl]piperazin-1-yl}-1,1-dioxido-1,2-benzothiazol-3-yl)-4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzenesulfonamide | | Formula: | C42 H44 Cl N7 O6 S3 | | SMILES: | Clc1ccc(cc1)c2ccccc2CN7CCN(c3ccc4c(c3)S(=O)(=O)N=C4NS(=O)(=O)c6cc([N+]([O-])=O)c(NC(CCN(C)C)CSc5ccccc5)cc6)CC7 | | InChi: | InChI=1S/C42H44ClN7O6S3/c1-47(2)21-20-33(29-57-35-9-4-3-5-10-35)44-39-19-17-36(27-40(39)50(51)52)58(53,54)45-42-38-18-16-34(26-41(38)59(55,56)46-42)49-24-22-48(23-25-49)28-31-8-6-7-11-37(31)30-12-14-32(43)15-13-30/h3-19,26-27,33,44H,20-25,28-29H2,1-2H3,(H,45,46)/t33-/m1/s1 | | Definition date: | 2012-12-20 | | Last modified: | 2013-07-05 | | Release date: | 2013-07-10 | | Identifier: | N-(6-{4-[(4'-chlorobiphenyl-2-yl)methyl]piperazin-1-yl}-1,1-dioxido-1,2-benzothiazol-3-yl)-4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzenesulfonamide |
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 | | KTK | | Name: | 4-[3-amino-4-(4-hydroxyphenyl)-1H-pyrazol-5-yl]benzene-1,3-diol | | Formula: | C15 H13 N3 O3 | | SMILES: | Oc3ccc(c2c(c1ccc(O)cc1)c(nn2)N)c(O)c3 | | InChi: | InChI=1S/C15H13N3O3/c16-15-13(8-1-3-9(19)4-2-8)14(17-18-15)11-6-5-10(20)7-12(11)21/h1-7,19-21H,(H3,16,17,18) | | Definition date: | 2013-05-30 | | Last modified: | 2013-06-28 | | Release date: | 2013-07-03 | | Identifier: | 4-[3-amino-4-(4-hydroxyphenyl)-1H-pyrazol-5-yl]benzene-1,3-diol |
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 | | 1O5 | | Name: | 5-[5-ethoxy-6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-methylbenzenesulfonamide | | Formula: | C20 H21 N5 O3 S | | SMILES: | O=S(=O)(N)c4c(ccc(c2nnc1cc(c(OCC)cc12)c3cn(nc3)C)c4)C | | InChi: | InChI=1S/C20H21N5O3S/c1-4-28-18-9-16-17(8-15(18)14-10-22-25(3)11-14)23-24-20(16)13-6-5-12(2)19(7-13)29(21,26)27/h5-11H,4H2,1-3H3,(H,23,24)(H2,21,26,27) | | Definition date: | 2012-11-21 | | Last modified: | 2013-06-21 | | Release date: | 2013-06-26 | | Identifier: | 5-[5-ethoxy-6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-methylbenzenesulfonamide |
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 | | 0U4 | | Name: | N-[(2S,3R)-4-{[2-(1-benzylpiperidin-4-yl)ethyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | | Formula: | C42 H53 N5 O5 S | | SMILES: | O=S(=O)(N(c2cc(C(=O)NC(c1ccccc1)C)cc(c2)C(=O)NC(Cc3ccccc3)C(O)CNCCC5CCN(Cc4ccccc4)CC5)C)C | | InChi: | InChI=1S/C42H53N5O5S/c1-31(35-17-11-6-12-18-35)44-41(49)36-26-37(28-38(27-36)46(2)53(3,51)52)42(50)45-39(25-33-13-7-4-8-14-33)40(48)29-43-22-19-32-20-23-47(24-21-32)30-34-15-9-5-10-16-34/h4-18,26-28,31-32,39-40,43,48H,19-25,29-30H2,1-3H3,(H,44,49)(H,45,50)/t31-,39+,40-/m1/s1 | | Definition date: | 2012-06-13 | | Last modified: | 2013-05-24 | | Release date: | 2013-05-29 | | Identifier: | N-[(2S,3R)-4-{[2-(1-benzylpiperidin-4-yl)ethyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide |
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 | | IQK | | Name: | N,N'-naphthalene-1,4-diylbis(4-methoxybenzenesulfonamide) | | Formula: | C24 H22 N2 O6 S2 | | SMILES: | O=S(=O)(Nc3c1ccccc1c(NS(=O)(=O)c2ccc(OC)cc2)cc3)c4ccc(OC)cc4 | | InChi: | InChI=1S/C24H22N2O6S2/c1-31-17-7-11-19(12-8-17)33(27,28)25-23-15-16-24(22-6-4-3-5-21(22)23)26-34(29,30)20-13-9-18(32-2)10-14-20/h3-16,25-26H,1-2H3 | | Definition date: | 2013-01-15 | | Last modified: | 2013-05-10 | | Release date: | 2013-05-15 | | Identifier: | N,N'-naphthalene-1,4-diylbis(4-methoxybenzenesulfonamide) |
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 | | 48K | | Name: | N-[2-(dimethylamino)ethyl]-4-{[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}benzenesulfonamide | | Formula: | C19 H22 N4 O3 S | | SMILES: | O=S(=O)(NCCN(C)C)c1ccc(cc1)N/C=C3/c2ccccc2NC3=O | | InChi: | InChI=1S/C19H22N4O3S/c1-23(2)12-11-21-27(25,26)15-9-7-14(8-10-15)20-13-17-16-5-3-4-6-18(16)22-19(17)24/h3-10,13,20-21H,11-12H2,1-2H3,(H,22,24)/b17-13- | | Definition date: | 2011-07-13 | | Last modified: | 2013-05-03 | | Release date: | 2013-05-08 | | Identifier: | N-[2-(dimethylamino)ethyl]-4-{[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}benzenesulfonamide |
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 | | 1L5 | | Name: | [(1E)-1-nitroprop-1-en-2-yl]benzene | | Formula: | C9 H9 N O2 | | SMILES: | O=N(=O)/C=C(/c1ccccc1)C | | InChi: | InChI=1S/C9H9NO2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-7H,1H3/b8-7+ | | Definition date: | 2013-03-13 | | Last modified: | 2013-05-03 | | Release date: | 2013-05-08 | | Identifier: | [(1E)-1-nitroprop-1-en-2-yl]benzene |
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 | | 20K | | Name: | 2-chloro-N~4~-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-N~1~,N~1~-dimethylbenzene-1,4-diamine | | Formula: | C17 H18 Cl N5 S | | SMILES: | Clc1c(N(C)C)ccc(c1)Nc3nc(c2sc(nc2C)C)ccn3 | | InChi: | InChI=1S/C17H18ClN5S/c1-10-16(24-11(2)20-10)14-7-8-19-17(22-14)21-12-5-6-15(23(3)4)13(18)9-12/h5-9H,1-4H3,(H,19,21,22) | | Definition date: | 2011-07-13 | | Last modified: | 2013-05-03 | | Release date: | 2013-05-08 | | Identifier: | 2-chloro-N~4~-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-N~1~,N~1~-dimethylbenzene-1,4-diamine |
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