| GSJ | 表記: | 1-PYRROLIDINEACETAMIDE, 3-[[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]AMINO]-ALPHA-METHYL-N-(1-METHYLETHYL)-N-[2-[(METHYLSULFONYL)AMINO]ETHYL]-2-OXO-, (ALPHAS,3S)- | 組成式: | C23 H31 Cl N4 O6 S2 | SMILES: | O=S(=O)(NCCN(C(=O)C(N3C(=O)C(NS(=O)(=O)c2cc1ccc(Cl)cc1cc2)CC3)C)C(C)C)C | InChi: | InChI=1S/C23H31ClN4O6S2/c1-15(2)27(12-10-25-35(4,31)32)22(29)16(3)28-11-9-21(23(28)30)26-36(33,34)20-8-6-17-13-19(24)7-5-18(17)14-20/h5-8,13-16,21,25-26H,9-12H2,1-4H3/t16-,21-/m0/s1 | 定義日: | 2006-08-31 | 最終更新日: | 2011-06-04 | 識別子(ID): | (2S)-2-[(3S)-3-{[(6-chloronaphthalen-2-yl)sulfonyl]amino}-2-oxopyrrolidin-1-yl]-N-(1-methylethyl)-N-{2-[(methylsulfonyl)amino]ethyl}propanamide |
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| GSK | 表記: | 6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-(4-MORPHOLINYL)-2-OXO ETHYL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE | 組成式: | C21 H24 Cl N3 O5 S | SMILES: | O=C(N1CCOCC1)C(N4C(=O)C(NS(=O)(=O)c3cc2ccc(Cl)cc2cc3)CC4)C | InChi: | InChI=1S/C21H24ClN3O5S/c1-14(20(26)24-8-10-30-11-9-24)25-7-6-19(21(25)27)23-31(28,29)18-5-3-15-12-17(22)4-2-16(15)13-18/h2-5,12-14,19,23H,6-11H2,1H3/t14-,19-/m0/s1 | 定義日: | 2006-04-03 | 最終更新日: | 2011-06-04 | 識別子(ID): | 6-chloro-N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulfonamide |
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| GSO | 表記: | L-GAMMA-GLUTAMYL-S-[(2S)-2-HYDROXY-2-PHENYLETHYL]-L-CYSTEINYLGLYCINE | 組成式: | C18 H25 N3 O7 S | SMILES: | O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSCC(O)c1ccccc1 | InChi: | InChI=1S/C18H25N3O7S/c19-12(18(27)28)6-7-15(23)21-13(17(26)20-8-16(24)25)9-29-10-14(22)11-4-2-1-3-5-11/h1-5,12-14,22H,6-10,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/t12-,13-,14+/m0/s1 | 定義日: | 2005-10-20 | 最終更新日: | 2011-06-04 | 識別子(ID): | L-gamma-glutamyl-S-[(2S)-2-hydroxy-2-phenylethyl]-L-cysteinylglycine |
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| GSP | 表記: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE | 組成式: | C10 H16 N5 O13 P3 S | SMILES: | S=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O | InChi: | InChI=1S/C10H16N5O13P3S/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(26-9)1-25-29(19,20)27-30(21,22)28-31(23,24)32/h2-3,5-6,9,16-17H,1H2,(H,19,20)(H,21,22)(H2,23,24,32)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 | 定義日: | 1999-07-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | 5'-O-[(S)-hydroxy{[(S)-hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl]guanosine |
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| GSQ | 表記: | 5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-SULFONAMIDE | 組成式: | C19 H23 Cl N4 O5 S | SMILES: | O=C(N1CCOCC1)C(N4C(=O)C(NS(=O)(=O)c3cc2cc(Cl)ccc2n3)CC4)C | InChi: | InChI=1S/C19H23ClN4O5S/c1-12(18(25)23-6-8-29-9-7-23)24-5-4-16(19(24)26)22-30(27,28)17-11-13-10-14(20)2-3-15(13)21-17/h2-3,10-12,16,21-22H,4-9H2,1H3/t12-,16-/m0/s1 | 定義日: | 2006-08-17 | 最終更新日: | 2011-06-04 | 識別子(ID): | 5-chloro-N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-1H-indole-2-sulfonamide |
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| GSU | 表記: | O5'-(L-GLUTAMYL-SULFAMOYL)-ADENOSINE | 組成式: | C15 H21 N7 O9 S | SMILES: | O=C(O)CCC(N)C(=O)NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O | InChi: | InChI=1S/C15H21N7O9S/c16-6(1-2-8(23)24)14(27)21-32(28,29)30-3-7-10(25)11(26)15(31-7)22-5-20-9-12(17)18-4-19-13(9)22/h4-7,10-11,15,25-26H,1-3,16H2,(H,21,27)(H,23,24)(H2,17,18,19)/t6-,7+,10+,11+,15+/m0/s1 | 定義日: | 2005-06-06 | 最終更新日: | 2011-06-04 | 識別子(ID): | 5'-O-(L-alpha-glutamylsulfamoyl)adenosine |
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| GSV | 表記: | 2-(5-chlorothiophen-2-yl)-N-{(3S)-1-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-2-oxopyrrolidin-3-yl}ethanesulfonamide | 組成式: | C23 H22 Cl F N2 O5 S3 | SMILES: | Clc1sc(cc1)CCS(=O)(=O)NC4C(=O)N(c3ccc(c2ccccc2S(=O)(=O)C)cc3F)CC4 | InChi: | InChI=1S/C23H22ClFN2O5S3/c1-34(29,30)21-5-3-2-4-17(21)15-6-8-20(18(25)14-15)27-12-10-19(23(27)28)26-35(31,32)13-11-16-7-9-22(24)33-16/h2-9,14,19,26H,10-13H2,1H3/t19-/m0/s1 | 定義日: | 2007-11-19 | 最終更新日: | 2011-06-04 | 識別子(ID): | 2-(5-chlorothiophen-2-yl)-N-{(3S)-1-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-2-oxopyrrolidin-3-yl}ethanesulfonamide |
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| GSX | 表記: | 5'-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-2,2'-BITHIOPHENE-5-SULFONAMIDE | 組成式: | C19 H22 Cl N3 O5 S3 | SMILES: | Clc4sc(c1sc(cc1)S(=O)(=O)NC3C(=O)N(C(C(=O)N2CCOCC2)C)CC3)cc4 | InChi: | InChI=1S/C19H22ClN3O5S3/c1-12(18(24)22-8-10-28-11-9-22)23-7-6-13(19(23)25)21-31(26,27)17-5-3-15(30-17)14-2-4-16(20)29-14/h2-5,12-13,21H,6-11H2,1H3/t12-,13-/m0/s1 | 定義日: | 2006-11-02 | 最終更新日: | 2011-06-04 | 識別子(ID): | 5'-chloro-N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-2,2'-bithiophene-5-sulfonamide |
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| GTB | 表記: | S-(P-NITROBENZYL)GLUTATHIONE | 組成式: | C17 H22 N4 O8 S | SMILES: | O=[N+]([O-])c1ccc(cc1)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N | InChi: | InChI=1S/C17H22N4O8S/c18-12(17(26)27)5-6-14(22)20-13(16(25)19-7-15(23)24)9-30-8-10-1-3-11(4-2-10)21(28)29/h1-4,12-13H,5-9,18H2,(H,19,25)(H,20,22)(H,23,24)(H,26,27)/t12-,13-/m0/s1 | 定義日: | 1999-07-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | L-gamma-glutamyl-S-(4-nitrobenzyl)-L-cysteinylglycine |
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| GTC | 表記: | (1R,2S)-2-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)cyclohexanecarboxylic acid | 組成式: | C9 H13 N3 O2 S | SMILES: | S=C1NC(=NN1)C2CCCCC2C(=O)O | InChi: | InChI=1S/C9H13N3O2S/c13-8(14)6-4-2-1-3-5(6)7-10-9(15)12-11-7/h5-6H,1-4H2,(H,13,14)(H2,10,11,12,15)/t5-,6+/m0/s1 | 定義日: | 2009-03-30 | 最終更新日: | 2011-06-04 | 識別子(ID): | (1R,2S)-2-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)cyclohexanecarboxylic acid |
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| GTQ | 表記: | 2,5-dihydroxybenzoic acid | 組成式: | C7 H6 O4 | SMILES: | O=C(O)c1cc(O)ccc1O | InChi: | InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11) | 定義日: | 2009-09-17 | 最終更新日: | 2011-06-04 | 識別子(ID): | 2,5-dihydroxybenzoic acid |
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| GUA | 表記: | GLUTARIC ACID | 組成式: | C5 H8 O4 | SMILES: | O=C(O)CCCC(=O)O | InChi: | InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9) | 定義日: | 1999-07-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | pentanedioic acid |
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| GUB | 表記: | 9-alpha-L-lyxofuranosyl-N-(2-phenylethyl)-9H-purin-6-amine | 組成式: | C18 H21 N5 O4 | SMILES: | n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)NCCc4ccccc4 | InChi: | InChI=1S/C18H21N5O4/c24-8-12-14(25)15(26)18(27-12)23-10-22-13-16(20-9-21-17(13)23)19-7-6-11-4-2-1-3-5-11/h1-5,9-10,12,14-15,18,24-26H,6-8H2,(H,19,20,21)/t12-,14+,15+,18+/m0/s1 | 定義日: | 2009-04-10 | 最終更新日: | 2011-06-04 | 識別子(ID): | 9-alpha-L-lyxofuranosyl-N-(2-phenylethyl)-9H-purin-6-amine |
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| GVD | 表記: | [4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-2,5-DIEN-1-YL]ACETONITRILE | 組成式: | C22 H19 N7 | SMILES: | N#CCC5C=CC(=N/c2nc1c(cccc1)c(n2)Nc3nnc(c3)C4CC4)C=C5 | InChi: | InChI=1S/C22H19N7/c23-12-11-14-5-9-16(10-6-14)24-22-25-18-4-2-1-3-17(18)21(27-22)26-20-13-19(28-29-20)15-7-8-15/h1-6,9-10,13-15H,7-8,11H2,(H2,25,26,27,28,29)/b24-16-/t14-/m0/s1 | 定義日: | 2007-03-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | [(1S,4E)-4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}imino)cyclohexa-2,5-dien-1-yl]acetonitrile |
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| GVF | 表記: | BENZENE-1,2,3,4-TETRAYL TETRAKIS[DIHYDROGEN (PHOSPHATE)] | 組成式: | C6 H10 O16 P4 | SMILES: | O=P(Oc1c(OP(=O)(O)O)ccc(OP(=O)(O)O)c1OP(=O)(O)O)(O)O | InChi: | InChI=1S/C6H10O16P4/c7-23(8,9)19-3-1-2-4(20-24(10,11)12)6(22-26(16,17)18)5(3)21-25(13,14)15/h1-2H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18) | 定義日: | 2007-03-12 | 最終更新日: | 2011-06-04 | 識別子(ID): | benzene-1,2,3,4-tetrayl tetrakis[dihydrogen (phosphate)] |
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| GVH | 表記: | 1H-PYRROLO[2,3-B]PYRIDINE | 組成式: | C7 H6 N2 | SMILES: | n1cccc2c1ncc2 | InChi: | InChI=1S/C7H6N2/c1-2-6-3-5-9-7(6)8-4-1/h1-5H,(H,8,9) | 定義日: | 2007-03-15 | 最終更新日: | 2011-06-04 | 識別子(ID): | 1H-pyrrolo[2,3-b]pyridine |
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| GVJ | 表記: | (S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE | 組成式: | C18 H15 N5 | SMILES: | n1c(c2ncnc2nc1)c3ccc(cc3)C(c4ccccc4)N | InChi: | InChI=1S/C18H15N5/c19-15(12-4-2-1-3-5-12)13-6-8-14(9-7-13)16-17-18(22-10-20-16)23-11-21-17/h1-11,15H,19H2,(H,20,21,22,23)/t15-/m0/s1 | 定義日: | 2007-03-15 | 最終更新日: | 2011-06-04 | 識別子(ID): | (S)-1-phenyl-1-[4-(9H-purin-6-yl)phenyl]methanamine |
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| GVK | 表記: | 6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN-4-YL]PHENYL}-9H-PURINE | 組成式: | C22 H20 Cl N5 | SMILES: | Clc1ccc(cc1)C5(c4ccc(c3ncnc2c3ncn2)cc4)CCNCC5 | InChi: | InChI=1S/C22H20ClN5/c23-18-7-5-17(6-8-18)22(9-11-24-12-10-22)16-3-1-15(2-4-16)19-20-21(27-13-25-19)28-14-26-20/h1-8,13-14,24H,9-12H2,(H,25,26,27,28) | 定義日: | 2007-03-15 | 最終更新日: | 2011-06-04 | 識別子(ID): | 6-{4-[4-(4-chlorophenyl)piperidin-4-yl]phenyl}-9H-purine |
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| GVN | 表記: | (2R)-2-(4-CHLOROPHENYL)-2-[4-(1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE | 組成式: | C17 H16 Cl N3 | SMILES: | Clc1ccc(cc1)C(c3ccc(c2cnnc2)cc3)CN | InChi: | InChI=1S/C17H16ClN3/c18-16-7-5-14(6-8-16)17(9-19)13-3-1-12(2-4-13)15-10-20-21-11-15/h1-8,10-11,17H,9,19H2,(H,20,21)/t17-/m1/s1 | 定義日: | 2007-03-19 | 最終更新日: | 2011-06-04 | 識別子(ID): | (2R)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine |
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| GVO | 表記: | (2S)-2-(4-CHLOROPHENYL)-2-[4-(1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE | 組成式: | C17 H16 Cl N3 | SMILES: | Clc1ccc(cc1)C(c3ccc(c2cnnc2)cc3)CN | InChi: | InChI=1S/C17H16ClN3/c18-16-7-5-14(6-8-16)17(9-19)13-3-1-12(2-4-13)15-10-20-21-11-15/h1-8,10-11,17H,9,19H2,(H,20,21)/t17-/m0/s1 | 定義日: | 2007-03-19 | 最終更新日: | 2011-06-04 | 識別子(ID): | (2S)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine |
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| GVP | 表記: | 4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-4-YL)PHENYL]PIPERIDINE | 組成式: | C20 H20 Cl N3 | SMILES: | Clc1ccc(cc1)C4(c3ccc(c2cnnc2)cc3)CCNCC4 | InChi: | InChI=1S/C20H20ClN3/c21-19-7-5-18(6-8-19)20(9-11-22-12-10-20)17-3-1-15(2-4-17)16-13-23-24-14-16/h1-8,13-14,22H,9-12H2,(H,23,24) | 定義日: | 2007-03-19 | 最終更新日: | 2011-06-04 | 識別子(ID): | 4-(4-chlorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine |
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| GVQ | 表記: | (2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINE | 組成式: | C14 H14 Cl N | SMILES: | Clc1ccc(cc1)C(c2ccccc2)CN | InChi: | InChI=1S/C14H14ClN/c15-13-8-6-12(7-9-13)14(10-16)11-4-2-1-3-5-11/h1-9,14H,10,16H2/t14-/m1/s1 | 定義日: | 2007-03-19 | 最終更新日: | 2011-06-04 | 識別子(ID): | (2R)-2-(4-chlorophenyl)-2-phenylethanamine |
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| GVR | 表記: | (2R)-N-hydroxy-3-naphthalen-2-yl-2-[(naphthalen-2-ylsulfonyl)amino]propanamide | 組成式: | C23 H20 N2 O4 S | SMILES: | O=S(=O)(c2cc1ccccc1cc2)NC(C(=O)NO)Cc4ccc3c(cccc3)c4 | InChi: | InChI=1S/C23H20N2O4S/c26-23(24-27)22(14-16-9-10-17-5-1-3-7-19(17)13-16)25-30(28,29)21-12-11-18-6-2-4-8-20(18)15-21/h1-13,15,22,25,27H,14H2,(H,24,26)/t22-/m1/s1 | 定義日: | 2007-10-26 | 最終更新日: | 2011-06-04 | 識別子(ID): | (2R)-N-hydroxy-3-naphthalen-2-yl-2-[(naphthalen-2-ylsulfonyl)amino]propanamide (non-preferred name) |
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| GW7 | 表記: | N-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-ethylthieno[3,2-d]pyrimidin-4-amine | 組成式: | C21 H17 Cl F N3 O S | SMILES: | Fc1cccc(c1)COc2ccc(cc2Cl)Nc4ncnc3c4sc(c3)CC | InChi: | InChI=1S/C21H17ClFN3OS/c1-2-16-10-18-20(28-16)21(25-12-24-18)26-15-6-7-19(17(22)9-15)27-11-13-4-3-5-14(23)8-13/h3-10,12H,2,11H2,1H3,(H,24,25,26) | 定義日: | 2007-10-01 | 最終更新日: | 2011-06-04 | 識別子(ID): | N-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-ethylthieno[3,2-d]pyrimidin-4-amine |
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| GWD | 表記: | (3E)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1,3-dihydro-2H-indol-2-one | 組成式: | C15 H8 Br2 I N O2 | SMILES: | Brc1cc(cc(Br)c1O)C=C3/c2cc(I)ccc2NC3=O | InChi: | InChI=1S/C15H8Br2INO2/c16-11-4-7(5-12(17)14(11)20)3-10-9-6-8(18)1-2-13(9)19-15(10)21/h1-6,20H,(H,19,21)/b10-3+ | 定義日: | 2008-11-04 | 最終更新日: | 2011-06-04 | 識別子(ID): | (3E)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1,3-dihydro-2H-indol-2-one |
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