 | | C96 | | 表記: | 4-{5-[(1Z)-1-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)ETHYL]-2-FURYL}BENZENESULFONAMIDE | | 組成式: | C15 H13 N3 O4 S2 | | SMILES: | O=C1C(SC(=[N@H])N1)=C(c3oc(c2ccc(cc2)S(=O)(=O)N)cc3)C | | InChi: | InChI=1S/C15H13N3O4S2/c1-8(13-14(19)18-15(16)23-13)11-6-7-12(22-11)9-2-4-10(5-3-9)24(17,20)21/h2-7H,1H3,(H2,16,18,19)(H2,17,20,21)/b13-8- | | 定義日: | 2007-04-30 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | 4-(5-{(1Z)-1-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]ethyl}furan-2-yl)benzenesulfonamide |
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 | | CDK | | 表記: | 4-[4-(3,4-DIMETHYL-2-OXO-2,3-DIHYDRO-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-N-(2-METHOXY-ETHYL)-BENZENESULFONAMIDE | | 組成式: | C18 H21 N5 O4 S2 | | SMILES: | O=C3SC(c1nc(ncc1)Nc2ccc(cc2)S(=O)(=O)NCCOC)=C(N3C)C | | InChi: | InChI=1S/C18H21N5O4S2/c1-12-16(28-18(24)23(12)2)15-8-9-19-17(22-15)21-13-4-6-14(7-5-13)29(25,26)20-10-11-27-3/h4-9,20H,10-11H2,1-3H3,(H,19,21,22) | | 定義日: | 2010-07-29 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | 4-{[4-(3,4-dimethyl-2-oxo-2,3-dihydro-1,3-thiazol-5-yl)pyrimidin-2-yl]amino}-N-(2-methoxyethyl)benzenesulfonamide |
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 | | U73 | | 表記: | N-(5-ISOPROPYL-THIAZOL-2-YL)-2-PYRIDIN-3-YL-ACETAMIDE | | 組成式: | C13 H15 N3 O S | | SMILES: | O=C(N=C1/SC(=CN1)C(C)C)Cc2cccnc2 | | InChi: | InChI=1S/C13H15N3OS/c1-9(2)11-8-15-13(18-11)16-12(17)6-10-4-3-5-14-7-10/h3-5,7-9H,6H2,1-2H3,(H,15,16,17) | | 定義日: | 2005-06-06 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | N-[(2Z)-5-(1-methylethyl)-1,3-thiazol-2(3H)-ylidene]-2-pyridin-3-ylacetamide |
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 | | JJJ | | 表記: | S-(pyridin-3-ylcarbonyl)-L-cysteine | | 組成式: | C9 H10 N2 O3 S | | SMILES: | O=C(O)C(N)CSC(=O)c1cccnc1 | | InChi: | InChI=1S/C9H10N2O3S/c10-7(8(12)13)5-15-9(14)6-2-1-3-11-4-6/h1-4,7H,5,10H2,(H,12,13)/t7-/m0/s1 | | 定義日: | 2010-08-06 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | S-(pyridin-3-ylcarbonyl)-L-cysteine |
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 | | JJK | | 表記: | S-[(S)-hydroxy(pyridin-3-yl)methyl]-L-cysteine | | 組成式: | C9 H12 N2 O3 S | | SMILES: | O=C(O)C(N)CSC(O)c1cccnc1 | | InChi: | InChI=1S/C9H12N2O3S/c10-7(8(12)13)5-15-9(14)6-2-1-3-11-4-6/h1-4,7,9,14H,5,10H2,(H,12,13)/t7-,9-/m0/s1 | | 定義日: | 2010-08-06 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | S-[(S)-hydroxy(pyridin-3-yl)methyl]-L-cysteine |
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 | | JJL | | 表記: | S-[(S)-hydroxy(5-methoxypyridin-3-yl)methyl]-L-cysteine | | 組成式: | C10 H14 N2 O4 S | | SMILES: | O=C(O)C(N)CSC(O)c1cncc(OC)c1 | | InChi: | InChI=1S/C10H14N2O4S/c1-16-7-2-6(3-12-4-7)10(15)17-5-8(11)9(13)14/h2-4,8,10,15H,5,11H2,1H3,(H,13,14)/t8-,10-/m0/s1 | | 定義日: | 2010-08-06 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | S-[(S)-hydroxy(5-methoxypyridin-3-yl)methyl]-L-cysteine |
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 | | JQ1 | | 表記: | (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium | | 組成式: | C23 H26 Cl N4 O2 S | | SMILES: | O=C(OC(C)(C)C)CC3N=C(c1c(sc(c1C)C)[n+]2c3nnc2C)c4ccc(Cl)cc4 | | InChi: | InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/p+1/t17-/m0/s1 | | 定義日: | 2010-05-10 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium |
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 | | GDB | | 表記: | 1-(S-GLUTATHIONYL)-2,4-DINITROBENZENE | | 組成式: | C16 H19 N5 O10 S | | SMILES: | O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSc1ccc(cc1N(=O)=O)N(=O)=O | | InChi: | InChI=1/C16H19N5O10S/c17-9(16(26)27)2-4-13(22)19-10(15(25)18-6-14(23)24)7-32-12-3-1-8(20(28)29)5-11(12)21(30)31/h1,3,5,9-10H,2,4,6-7,17H2,(H,18,25)(H,19,22)(H,23,24)(H,26,27)/t9-,10-/m0/s1/f/h18-19,23,26H | | 定義日: | 1999-07-08 | | 最終更新日: | 2008-10-14 | | 識別子（ID）: | L-gamma-glutamyl-S-(2,4-dinitrophenyl)-L-cysteinylglycine |
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 | | CYP | | 表記: | 9R,10R-9-GLUTATHIONYL-10-HYDROXY-9,10-DIHYDRO PHENANTHRENE | | 組成式: | C24 H27 N3 O7 S | | SMILES: | O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC3c1ccccc1c2c(cccc2)C3O | | InChi: | InChI=1/C24H27N3O7S/c25-17(24(33)34)9-10-19(28)27-18(23(32)26-11-20(29)30)12-35-22-16-8-4-2-6-14(16)13-5-1-3-7-15(13)21(22)31/h1-8,17-18,21-22,31H,9-12,25H2,(H,26,32)(H,27,28)(H,29,30)(H,33,34)/t17-,18-,21+,22+/m0/s1/f/h26-27,29,33H | | 定義日: | 1999-07-08 | | 最終更新日: | 2008-10-14 | | 識別子（ID）: | L-gamma-glutamyl-S-[(9R,10R)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-L-cysteinylglycine |
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