 | | DQN | | 表記: | DUROQUINONE | | 組成式: | C10 H12 O2 | | SMILES: | O=C1C(=C(C(=O)C(=C1C)C)C)C | | InChi: | InChI=1S/C10H12O2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h1-4H3 | | 定義日: | 1999-07-08 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | 2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione |
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 | | EGD | | 表記: | N-ETHYLGUANIDINE | | 組成式: | C3 H9 N3 | | SMILES: | [N@H]=C(N)NCC | | InChi: | InChI=1S/C3H9N3/c1-2-6-3(4)5/h2H2,1H3,(H4,4,5,6) | | 定義日: | 2005-11-21 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | 1-ethylguanidine |
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 | | FI4 | | 表記: | (2S)-1-{[3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}propan-2-ol | | 組成式: | C20 H16 Cl F2 N5 O2 | | SMILES: | Fc4ccc(Oc1nc2c(c(n1)NCC(O)C)c(nn2)c3ccccc3Cl)c(F)c4 | | InChi: | InChI=1S/C20H16ClF2N5O2/c1-10(29)9-24-18-16-17(12-4-2-3-5-13(12)21)27-28-19(16)26-20(25-18)30-15-7-6-11(22)8-14(15)23/h2-8,10,29H,9H2,1H3,(H2,24,25,26,27,28)/t10-/m0/s1 | | 定義日: | 2008-12-11 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | (2S)-1-{[3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}propan-2-ol |
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 | | HY2 | | 表記: | 2-{2-[4-(3-{[(11aS)-7-methoxy-5-oxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy}propyl)piperazin-1-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione | | 組成式: | C34 H39 N5 O5 | | SMILES: | O=C6N7C(CNc5cc(OCCCN4CCN(CCN3C(=O)c1c2c(ccc1)cccc2C3=O)CC4)c(OC)cc56)CCC7 | | InChi: | InChI=1S/C34H39N5O5/c1-43-29-20-27-28(35-22-24-8-4-12-38(24)34(27)42)21-30(29)44-19-5-11-36-13-15-37(16-14-36)17-18-39-32(40)25-9-2-6-23-7-3-10-26(31(23)25)33(39)41/h2-3,6-7,9-10,20-21,24,35H,4-5,8,11-19,22H2,1H3/t24-/m0/s1 | | 定義日: | 2010-05-19 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | 2-{2-[4-(3-{[(11aS)-7-methoxy-5-oxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy}propyl)piperazin-1-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione |
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 | | 641 | | 表記: | (3S)-1-CYCLOHEXYL-N-(3,5-DICHLOROPHENYL)-5-OXOPYRROLIDINE-3-CARBOXAMIDE | | 組成式: | C17 H20 Cl2 N2 O2 | | SMILES: | Clc1cc(cc(Cl)c1)NC(=O)C3CC(=O)N(C2CCCCC2)C3 | | InChi: | InChI=1S/C17H20Cl2N2O2/c18-12-7-13(19)9-14(8-12)20-17(23)11-6-16(22)21(10-11)15-4-2-1-3-5-15/h7-9,11,15H,1-6,10H2,(H,20,23)/t11-/m0/s1 | | 定義日: | 2006-06-14 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | (3S)-1-cyclohexyl-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide |
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 | | 222 | | 表記: | 2-(3-{(2-CHLORO-4-FLUOROPHENYL)[1-(2-CHLOROPHENYL)-6-OXO-1,6-DIHYDROPYRIDAZIN-3-YL]AMINO}PROPYL)-1H-ISOINDOLE-1,3(2H)-DIONE | | 組成式: | C27 H19 Cl2 F N4 O3 | | SMILES: | Fc1ccc(c(Cl)c1)N(C3=NN(c2c(Cl)cccc2)C(=O)C=C3)CCCN5C(=O)c4ccccc4C5=O | | InChi: | InChI=1S/C27H19Cl2FN4O3/c28-20-8-3-4-9-23(20)34-25(35)13-12-24(31-34)32(22-11-10-17(30)16-21(22)29)14-5-15-33-26(36)18-6-1-2-7-19(18)27(33)37/h1-4,6-13,16H,5,14-15H2 | | 定義日: | 2006-08-11 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | 2-(3-{(2-chloro-4-fluorophenyl)[1-(2-chlorophenyl)-6-oxo-1,6-dihydropyridazin-3-yl]amino}propyl)-1H-isoindole-1,3(2H)-dione |
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 | | 3MD | | 表記: | 2S,3S-3-METHYLASPARTIC ACID | | 組成式: | C5 H9 N O4 | | SMILES: | O=C(O)C(C)C(N)C(=O)O | | InChi: | InChI=1/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2-,3-/m0/s1/f/h7,9H | | 定義日: | 2001-03-23 | | 最終更新日: | 2009-09-09 | | 識別子（ID）: | (3S)-3-methyl-L-aspartic acid |
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 | | GTN | | 表記: | PHOSPHOAMINOPHOSPHONIC ACID GUANYLATE ESTER | | 組成式: | C10 H17 N6 O13 P3 | | SMILES: | O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O | | InChi: | InChI=1/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1/f/h14-15,20-21,23,25H,11H2 | | 定義日: | 1999-07-08 | | 最終更新日: | 2008-10-14 | | 識別子（ID）: | 5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]guanosine |
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