| Q62 | 表記: | ~{N}-[(5~{S})-5-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-6-oxidanylidene-6-(prop-2-ynylamino)hexyl]-2,3-bis(oxidanyl)benzamide | 組成式: | C23 H25 N3 O7 | SMILES: | Oc1cccc(C(=O)NCCCC[CH](NC(=O)c2cccc(O)c2O)C(=O)NCC#C)c1O | InChi: | InChI=1S/C23H25N3O7/c1-2-12-24-23(33)16(26-22(32)15-8-6-11-18(28)20(15)30)9-3-4-13-25-21(31)14-7-5-10-17(27)19(14)29/h1,5-8,10-11,16,27-30H,3-4,9,12-13H2,(H,24,33)(H,25,31)(H,26,32)/t16-/m0/s1 | 定義日: | 2020-05-19 | 最終更新日: | 2020-07-24 | 公開日: | 2020-07-29 | 識別子(ID): | ~{N}-[(5~{S})-5-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-6-oxidanylidene-6-(prop-2-ynylamino)hexyl]-2,3-bis(oxidanyl)benzamide |
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| N14 | 表記: | 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4S)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine | 組成式: | C23 H29 F N8 | SMILES: | C5CCn1c(c(cn1)c2c(cnc(n2)Nc3ccc(cn3)N4CCN(CC4)C)F)C(C5)C | InChi: | InChI=1S/C23H29FN8/c1-16-5-3-4-8-32-22(16)18(14-27-32)21-19(24)15-26-23(29-21)28-20-7-6-17(13-25-20)31-11-9-30(2)10-12-31/h6-7,13-16H,3-5,8-12H2,1-2H3,(H,25,26,28,29)/t16-/m0/s1 | 定義日: | 2019-04-29 | 最終更新日: | 2020-07-24 | 公開日: | 2020-07-29 | 識別子(ID): | 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4S)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine |
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| RM4 | 表記: | beta-L-rhamnopyranose | 組成式: | C6 H12 O5 | SMILES: | OC1C(O)C(OC(O)C1O)C | InChi: | InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6-/m0/s1 | 別名: | beta-L-rhamnose | 定義日: | 2008-10-22 | 最終更新日: | 2020-07-17 | 識別子(ID): | 6-deoxy-beta-L-mannopyranose |
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| TVV | 表記: | 3-O-prop-2-yn-1-yl-beta-D-galactopyranose | 組成式: | C9 H14 O6 | SMILES: | C1(O)C(O)C(C(C(O1)CO)O)OCC#C | InChi: | InChI=1S/C9H14O6/c1-2-3-14-8-6(11)5(4-10)15-9(13)7(8)12/h1,5-13H,3-4H2/t5-,6+,7-,8+,9-/m1/s1 | 定義日: | 2020-04-01 | 最終更新日: | 2020-07-17 | 公開日: | 2020-07-29 | 識別子(ID): | 3-O-prop-2-yn-1-yl-beta-D-galactopyranose |
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| RHA | 表記: | 6-deoxy-1-O-phosphono-alpha-L-rhamnopyranose | 組成式: | C6 H13 O8 P | SMILES: | O=P(OC1OC(C(O)C(O)C1O)C)(O)O | InChi: | InChI=1S/C6H13O8P/c1-2-3(7)4(8)5(9)6(13-2)14-15(10,11)12/h2-9H,1H3,(H2,10,11,12)/t2-,3-,4+,5+,6-/m0/s1 | 別名: | 6-DEOXY-MANNOSE-1'-PHOSPHATE | 定義日: | 1999-07-08 | 最終更新日: | 2020-07-17 | 識別子(ID): | 6-deoxy-1-O-phosphono-alpha-L-mannopyranose |
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| 9MR | 表記: | (3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl beta-D-glucopyranoside | 組成式: | C12 H23 N O8 | SMILES: | O(C1C(O)CNCC1CO)C2OC(C(O)C(O)C2O)CO | InChi: | InChI=1S/C12H23NO8/c14-3-5-1-13-2-6(16)11(5)21-12-10(19)9(18)8(17)7(4-15)20-12/h5-19H,1-4H2/t5-,6-,7-,8-,9+,10-,11-,12+/m1/s1 | 別名: | CELLOBIOSE-LIKE ISOFAGOMINE | 定義日: | 2007-02-26 | 最終更新日: | 2020-07-17 | 識別子(ID): | (3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl beta-D-glucopyranoside |
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| FN0 | 表記: | (3S)-5,7-ditert-butyl-3-oxidanyl-3-(trifluoromethyl)-1-benzofuran-2-one | 組成式: | C17 H21 F3 O3 | SMILES: | CC(C)(C)c1cc(c2OC(=O)[C](O)(c2c1)C(F)(F)F)C(C)(C)C | InChi: | InChI=1S/C17H21F3O3/c1-14(2,3)9-7-10(15(4,5)6)12-11(8-9)16(22,13(21)23-12)17(18,19)20/h7-8,22H,1-6H3/t16-/m0/s1 | 定義日: | 2020-06-03 | 最終更新日: | 2020-06-26 | 公開日: | 2020-07-01 | 識別子(ID): | (3~{S})-5,7-di~{tert}-butyl-3-oxidanyl-3-(trifluoromethyl)-1-benzofuran-2-one |
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| W43 | 表記: | 5-(7-(6-CHLORO-4-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)HEPTYL)-3-METHYL ISOXAZOLE | 組成式: | C21 H27 Cl N2 O3 | SMILES: | Clc3cc(C1=NC(C)CO1)ccc3OCCCCCCCc2onc(c2)C | InChi: | InChI=1S/C21H27ClN2O3/c1-15-12-18(27-24-15)8-6-4-3-5-7-11-25-20-10-9-17(13-19(20)22)21-23-16(2)14-26-21/h9-10,12-13,16H,3-8,11,14H2,1-2H3/t16-/m0/s1 | 別名: | COMPOUND II(R/S) | 定義日: | 1999-07-08 | 最終更新日: | 2020-06-17 | 識別子(ID): | 5-(7-{2-chloro-4-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy}heptyl)-3-methylisoxazole |
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| LIC | 表記: | 3-(2-CHLOROBENZYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA | 組成式: | C24 H28 Cl N5 O3 | SMILES: | Clc1ccccc1CNC(=O)N(c2nc(ncc2)NC(C(O)(C)C)C)c3ccc(OC)cc3 | InChi: | InChI=1S/C24H28ClN5O3/c1-16(24(2,3)32)28-22-26-14-13-21(29-22)30(18-9-11-19(33-4)12-10-18)23(31)27-15-17-7-5-6-8-20(17)25/h5-14,16,32H,15H2,1-4H3,(H,27,31)(H,26,28,29)/t16-/m0/s1 | 別名: | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE | 定義日: | 2006-03-29 | 最終更新日: | 2020-06-17 | 識別子(ID): | 3-(2-chlorobenzyl)-1-(2-{[(1S)-2-hydroxy-1,2-dimethylpropyl]amino}pyrimidin-4-yl)-1-(4-methoxyphenyl)urea |
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| Z93 | 表記: | 2-{[(4R)-2,5-dioxo-4-(4-pyridin-3-ylphenyl)imidazolidin-4-yl]methyl}-6-methoxy-1-oxo-1H-isoindolium | 組成式: | C24 H19 N4 O4 | SMILES: | COc1ccc2C=[N+](C[C]3(NC(=O)NC3=O)c4ccc(cc4)c5cccnc5)C(=O)c2c1 | InChi: | InChI=1S/C24H18N4O4/c1-32-19-9-6-17-13-28(21(29)20(17)11-19)14-24(22(30)26-23(31)27-24)18-7-4-15(5-8-18)16-3-2-10-25-12-16/h2-13H,14H2,1H3,(H-,26,27,30,31)/p+1/t24-/m0/s1 | 別名: | N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE | 定義日: | 2010-01-16 | 最終更新日: | 2020-06-17 | 識別子(ID): | (5R)-5-[(6-methoxy-1-oxo-isoindol-2-ium-2-yl)methyl]-5-(4-pyridin-3-ylphenyl)imidazolidine-2,4-dione |
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| S9T | 表記: | (1~{S})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline | 組成式: | C20 H25 N O4 | SMILES: | COc1ccc(C[CH]2NCCc3cc(OC)c(OC)cc23)cc1OC | InChi: | InChI=1S/C20H25NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-6,10-12,16,21H,7-9H2,1-4H3/t16-/m0/s1 | 別名: | S-Tetrahydropapaverine | 定義日: | 2016-07-11 | 最終更新日: | 2020-06-17 | 公開日: | 2016-09-07 | 識別子(ID): | (1~{S})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline |
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| SFX | 表記: | (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine | 組成式: | C17 H18 F3 N O | SMILES: | FC(F)(F)c2ccc(OC(c1ccccc1)CCNC)cc2 | InChi: | InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/t16-/m0/s1 | 別名: | Fluoxetine | 定義日: | 2009-04-03 | 最終更新日: | 2020-06-17 | 識別子(ID): | (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine |
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| LZU | 表記: | 10-{2-[(2S)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine | 組成式: | C21 H26 N2 S2 | SMILES: | S(c2cc1N(c3c(Sc1cc2)cccc3)CCC4N(C)CCCC4)C | InChi: | InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3/t16-/m0/s1 | 別名: | Thioridazine | 定義日: | 2012-11-27 | 最終更新日: | 2020-06-17 | 公開日: | 2013-08-28 | 識別子(ID): | 10-{2-[(2S)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine |
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| MG9 | 表記: | 2-{4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol | 組成式: | C21 H20 F6 N4 O3 S | SMILES: | O=S(=O)(c1ccc(nc1)N)N3CC(C#CC)N(c2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F)CC3 | InChi: | InChI=1S/C21H20F6N4O3S/c1-2-3-16-13-30(35(33,34)17-8-9-18(28)29-12-17)10-11-31(16)15-6-4-14(5-7-15)19(32,20(22,23)24)21(25,26)27/h4-9,12,16,32H,10-11,13H2,1H3,(H2,28,29)/t16-/m0/s1 | 別名: | AMG-3969 | 定義日: | 2013-10-02 | 最終更新日: | 2020-06-17 | 公開日: | 2014-05-07 | 識別子(ID): | 2-{4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol |
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| MGW | 表記: | methyl N-(carboxymethyl)-N-(2-phenylethyl)glycyl-L-histidinate | 組成式: | C19 H24 N4 O5 | SMILES: | O=C(O)CN(CCc1ccccc1)CC(=O)NC(C(=O)OC)Cc2cncn2 | InChi: | InChI=1S/C19H24N4O5/c1-28-19(27)16(9-15-10-20-13-21-15)22-17(24)11-23(12-18(25)26)8-7-14-5-3-2-4-6-14/h2-6,10,13,16H,7-9,11-12H2,1H3,(H,20,21)(H,22,24)(H,25,26)/t16-/m0/s1 | 別名: | ( (S)-2-[2-(Carboxymethyl-phenethyl-amino)-acetylamino]-3-(1H-imidazol-4-yl)-propionic acid methyl ester | 定義日: | 2011-04-19 | 最終更新日: | 2020-06-17 | 公開日: | 2013-08-28 | 識別子(ID): | methyl N-(carboxymethyl)-N-(2-phenylethyl)glycyl-L-histidinate |
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| K55 | 表記: | (2S)-2-{4-butoxy-3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid | 組成式: | C24 H27 F4 N O4 | SMILES: | FC(F)(F)c1ccc(c(F)c1)C(=O)NCc2cc(ccc2OCCCC)CC(C(=O)O)CC | InChi: | InChI=1S/C24H27F4NO4/c1-3-5-10-33-21-9-6-15(11-16(4-2)23(31)32)12-17(21)14-29-22(30)19-8-7-18(13-20(19)25)24(26,27)28/h6-9,12-13,16H,3-5,10-11,14H2,1-2H3,(H,29,30)(H,31,32)/t16-/m0/s1 | 別名: | (S)-2-{4-butoxy-3-[(2-fluoro-4-trifluoromethylbenzoylamino)methyl]benzyl} butyric acid | 定義日: | 2008-05-09 | 最終更新日: | 2020-06-17 | 識別子(ID): | (2S)-2-{4-butoxy-3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid |
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| QCP | 表記: | AR-42 | 組成式: | C18 H20 N2 O3 | SMILES: | C(C)(C(c1ccccc1)C(Nc2ccc(C(NO)=O)cc2)=O)C | InChi: | InChI=1S/C18H20N2O3/c1-12(2)16(13-6-4-3-5-7-13)18(22)19-15-10-8-14(9-11-15)17(21)20-23/h3-12,16,23H,1-2H3,(H,19,22)(H,20,21)/t16-/m0/s1 | 別名: | N-hydroxy-4-{[(2S)-3-methyl-2-phenylbutanoyl]amino}benzamide | 定義日: | 2019-10-16 | 最終更新日: | 2020-06-17 | 公開日: | 2019-12-04 | 識別子(ID): | N-hydroxy-4-{[(2S)-3-methyl-2-phenylbutanoyl]amino}benzamide |
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| U01 | 表記: | 3-[1-(4-BROMO-PHENYL)-2-METHYL-PROPYL]-4-HYDROXY-CHROMEN-2-ONE | 組成式: | C19 H17 Br O3 | SMILES: | Brc1ccc(cc1)C(C2=C(O)c3c(OC2=O)cccc3)C(C)C | InChi: | InChI=1S/C19H17BrO3/c1-11(2)16(12-7-9-13(20)10-8-12)17-18(21)14-5-3-4-6-15(14)23-19(17)22/h3-11,16,21H,1-2H3/t16-/m0/s1 | 別名: | PARA-BROMOPHENYL ANALOGUE OF PHEN-PROCOUMON 3-(ALPHA-ETHYLBENZYL)-4-HYDROXYCOUMARIN | 定義日: | 1999-07-08 | 最終更新日: | 2020-06-17 | 識別子(ID): | 3-[(1S)-1-(4-bromophenyl)-2-methylpropyl]-4-hydroxy-2H-chromen-2-one |
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| JSW | 表記: | [(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone | 組成式: | C18 H21 F2 N5 O2 | SMILES: | Cc1oc(nn1)N2CCC(CC2)C(=O)N3NCC[CH]3c4cc(F)cc(F)c4 | InChi: | InChI=1S/C18H21F2N5O2/c1-11-22-23-18(27-11)24-6-3-12(4-7-24)17(26)25-16(2-5-21-25)13-8-14(19)10-15(20)9-13/h8-10,12,16,21H,2-7H2,1H3/t16-/m0/s1 | 別名: | DHP77 | 定義日: | 2019-03-25 | 最終更新日: | 2020-06-17 | 公開日: | 2019-05-01 | 識別子(ID): | [(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone |
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| NVP | 表記: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE | 組成式: | C15 H14 N4 O | SMILES: | O=C2Nc1c(ccnc1N(c3ncccc23)C4CC4)C | InChi: | InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20) | 別名: | NON-NUCLEOSIDE RT INHIBITOR NEVIRAPINE | 定義日: | 2000-08-15 | 最終更新日: | 2020-06-17 | 識別子(ID): | 11-cyclopropyl-4-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one |
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| BEP | 表記: | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | 組成式: | C24 H34 N2 O | SMILES: | O(CC(C)C)CC(N1CCCC1)CN(c2ccccc2)Cc3ccccc3 | InChi: | InChI=1S/C24H34N2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3/t24-/m0/s1 | 別名: | BEPRIDIL | 定義日: | 2000-01-24 | 最終更新日: | 2020-06-17 | 識別子(ID): | N-benzyl-N-[(2S)-3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]aniline |
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| G69 | 表記: | N-[(2S)-5-{[4-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonami
de | 組成式: | C18 H22 F3 N3 O3 S | SMILES: | O=S(=O)(NC3Cc1c(cc(cc1)Cn2nc(c(c2)CO)C(F)(F)F)C3)C(C)C | InChi: | InChI=1S/C18H22F3N3O3S/c1-11(2)28(26,27)23-16-6-13-4-3-12(5-14(13)7-16)8-24-9-15(10-25)17(22-24)18(19,20)21/h3-5,9,11,16,23,25H,6-8,10H2,1-2H3/t16-/m0/s1 | 別名: | (S)-N-(5-((4-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamid
e | 定義日: | 2010-11-23 | 最終更新日: | 2020-06-17 | 識別子(ID): | N-[(2S)-5-{[4-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide |
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| GCY | 表記: | N-[(2S,3R)-1-(beta-D-galactopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]tetracosanamide | 組成式: | C48 H93 N O8 | SMILES: | O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCC | InChi: | InChI=1S/C48H93NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,41-43,45-48,50-51,53-55H,3-34,36,38-40H2,1-2H3,(H,49,52)/b37-35+/t41-,42+,43+,45-,46-,47+,48+/m0/s1 | 別名: | beta-Galactosylceramide, Ceramide beta-D-galactoside | 定義日: | 2011-08-25 | 最終更新日: | 2020-06-17 | 識別子(ID): | N-[(2S,3R,4E)-1-(beta-D-galactopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]tetracosanamide |
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| 406 | 表記: | N-[3-(4,5'-BIPYRIMIDIN-2-YLAMINO)-4-METHYLPHENYL]-4-{[(3S)-3-(DIMETHYLAMINO)PYRROLIDIN-1-YL]METHYL}-3-(TRIFLUOROMETHYL)
BENZAMIDE | 組成式: | C30 H31 F3 N8 O | SMILES: | FC(F)(F)c4cc(C(=O)Nc3ccc(c(Nc2nc(c1cncnc1)ccn2)c3)C)ccc4CN5CCC(N(C)C)C5 | InChi: | InChI=1S/C30H31F3N8O/c1-19-4-7-23(13-27(19)39-29-36-10-8-26(38-29)22-14-34-18-35-15-22)37-28(42)20-5-6-21(25(12-20)30(31,32)33)16-41-11-9-24(17-41)40(2)3/h4-8,10,12-15,18,24H,9,11,16-17H2,1-3H3,(H,37,42)(H,36,38,39)/t24-/m0/s1 | 別名: | INNO-406 | 定義日: | 2006-11-13 | 最終更新日: | 2020-06-17 | 識別子(ID): | N-[3-(4,5'-bipyrimidin-2-ylamino)-4-methylphenyl]-4-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl}-3-(trifluoromethyl)benzamide |
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| 418 | 表記: | 2-{4-[2-(S)-ALLYLOXYCARBONYLAMINO-3-{4-[(2-CARBOXY-PHENYL)-OXALYL-AMINO]-PHENYL}-PROPIONYLAMINO]-BUTOXY}-6-HYDROXY-BENZ
OIC ACID METHYL ESTER | 組成式: | C34 H35 N3 O12 | SMILES: | O=C(O)c1ccccc1N(C(=O)C(=O)O)c2ccc(cc2)CC(NC(=O)OC/C=C)C(=O)NCCCCOc3cccc(O)c3C(=O)OC | InChi: | InChI=1S/C34H35N3O12/c1-3-18-49-34(46)36-24(29(39)35-17-6-7-19-48-27-12-8-11-26(38)28(27)33(45)47-2)20-21-13-15-22(16-14-21)37(30(40)32(43)44)25-10-5-4-9-23(25)31(41)42/h3-5,8-16,24,38H,1,6-7,17-20H2,2H3,(H,35,39)(H,36,46)(H,41,42)(H,43,44)/t24-/m0/s1 | 別名: | COMPOUND 6 | 定義日: | 2003-06-05 | 最終更新日: | 2020-06-17 | 識別子(ID): | 2-[(carboxycarbonyl){4-[(2S)-3-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}amino)-3-oxo-2-{[(prop-2-en-1-yloxy)carbonyl]amino}propyl]phenyl}amino]benzoic acid |
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