![U36 U36](https://data.pdbj.org/pdbjplus/data/cc/svg/U36.svg) | U36 | 表記: | 2'-O-METHYOXYETHYL-URIDINE-5'-MONOPHOSPHATE | 組成式: | C12 H19 N2 O10 P | SMILES: | O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(OCCOC)C2O | InChi: | InChI=1S/C12H19N2O10P/c1-21-4-5-22-10-9(16)7(6-23-25(18,19)20)24-11(10)14-3-2-8(15)13-12(14)17/h2-3,7,9-11,16H,4-6H2,1H3,(H,13,15,17)(H2,18,19,20)/t7-,9-,10-,11-/m1/s1 | 定義日: | 1999-05-12 | 最終更新日: | 2013-02-19 | 識別子(ID): | 2'-O-(2-methoxyethyl)uridine 5'-(dihydrogen phosphate) |
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![C43 C43](https://data.pdbj.org/pdbjplus/data/cc/svg/C43.svg) | C43 | 表記: | 2'-O-METHYOXYETHYL-CYTIDINE-5'-MONOPHOSPHATE | 組成式: | C12 H20 N3 O9 P | SMILES: | O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(OCCOC)C2O | InChi: | InChI=1S/C12H20N3O9P/c1-21-4-5-22-10-9(16)7(6-23-25(18,19)20)24-11(10)15-3-2-8(13)14-12(15)17/h2-3,7,9-11,16H,4-6H2,1H3,(H2,13,14,17)(H2,18,19,20)/t7-,9-,10-,11-/m1/s1 | 定義日: | 1999-05-12 | 最終更新日: | 2013-02-19 | 識別子(ID): | 2'-O-(2-methoxyethyl)cytidine 5'-(dihydrogen phosphate) |
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![RHB RHB](https://data.pdbj.org/pdbjplus/data/cc/svg/RHB.svg) | RHB | 表記: | N-[9-(2-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]-N-ethylethanaminium | 組成式: | C28 H31 N2 O3 | SMILES: | O=C(O)c4ccccc4C=1c3c(OC=2C=1C=C/C(=[N+](/CC)CC)C=2)cc(cc3)N(CC)CC | InChi: | InChI=1S/C28H30N2O3/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32/h9-18H,5-8H2,1-4H3/p+1 | 定義日: | 2012-08-22 | 最終更新日: | 2013-02-15 | 公開日: | 2013-02-15 | 識別子(ID): | N-[9-(2-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]-N-ethylethanaminium |
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![0U7 0U7](https://data.pdbj.org/pdbjplus/data/cc/svg/0U7.svg) | 0U7 | 表記: | 3-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride | 組成式: | C14 H7 Cl2 F N2 O3 S | SMILES: | FS(=O)(=O)c3cccc(c1nnc(o1)c2cc(Cl)cc(Cl)c2)c3 | InChi: | InChI=1S/C14H7Cl2FN2O3S/c15-10-4-9(5-11(16)7-10)14-19-18-13(22-14)8-2-1-3-12(6-8)23(17,20)21/h1-7H | 定義日: | 2012-06-15 | 最終更新日: | 2013-02-15 | 公開日: | 2013-02-15 | 識別子(ID): | 3-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride |
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![0UA 0UA](https://data.pdbj.org/pdbjplus/data/cc/svg/0UA.svg) | 0UA | 表記: | 3-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride | 組成式: | C14 H7 Cl2 F N2 O4 S | SMILES: | FS(=O)(=O)c3cccc(c1nnc(o1)c2cc(Cl)c(O)c(Cl)c2)c3 | InChi: | InChI=1S/C14H7Cl2FN2O4S/c15-10-5-8(6-11(16)12(10)20)14-19-18-13(23-14)7-2-1-3-9(4-7)24(17,21)22/h1-6,20H | 定義日: | 2012-06-15 | 最終更新日: | 2013-02-15 | 公開日: | 2013-02-15 | 識別子(ID): | 3-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride |
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![0UC 0UC](https://data.pdbj.org/pdbjplus/data/cc/svg/0UC.svg) | 0UC | 表記: | 4-bromo-3-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride | 組成式: | C14 H6 Br Cl2 F N2 O4 S | SMILES: | FS(=O)(=O)c3ccc(Br)c(c1nnc(o1)c2cc(Cl)c(O)c(Cl)c2)c3 | InChi: | InChI=1S/C14H6BrCl2FN2O4S/c15-9-2-1-7(25(18,22)23)5-8(9)14-20-19-13(24-14)6-3-10(16)12(21)11(17)4-6/h1-5,21H | 定義日: | 2012-06-15 | 最終更新日: | 2013-02-15 | 公開日: | 2013-02-15 | 識別子(ID): | 4-bromo-3-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride |
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![1BI 1BI](https://data.pdbj.org/pdbjplus/data/cc/svg/1BI.svg) | 1BI | 表記: | 3-cyclohexyl-2-(furan-3-yl)-1-[2-(morpholin-4-yl)-2-oxoethyl]-N-(phenylsulfonyl)-1H-indole-6-carboxamide | 組成式: | C31 H33 N3 O6 S | SMILES: | O=C(N1CCOCC1)Cn5c3cc(C(=O)NS(=O)(=O)c2ccccc2)ccc3c(c5c4ccoc4)C6CCCCC6 | InChi: | InChI=1S/C31H33N3O6S/c35-28(33-14-17-39-18-15-33)20-34-27-19-23(31(36)32-41(37,38)25-9-5-2-6-10-25)11-12-26(27)29(22-7-3-1-4-8-22)30(34)24-13-16-40-21-24/h2,5-6,9-13,16,19,21-22H,1,3-4,7-8,14-15,17-18,20H2,(H,32,36) | 定義日: | 2012-08-21 | 最終更新日: | 2013-02-15 | 公開日: | 2013-02-15 | 識別子(ID): | 3-cyclohexyl-2-(furan-3-yl)-1-[2-(morpholin-4-yl)-2-oxoethyl]-N-(phenylsulfonyl)-1H-indole-6-carboxamide |
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![1H1 1H1](https://data.pdbj.org/pdbjplus/data/cc/svg/1H1.svg) | 1H1 | 表記: | ethyl (3R)-4-cyano-3-hydroxybutanoate | 組成式: | C7 H11 N O3 | SMILES: | O=C(OCC)CC(O)CC#N | InChi: | InChI=1S/C7H11NO3/c1-2-11-7(10)5-6(9)3-4-8/h6,9H,2-3,5H2,1H3/t6-/m1/s1 | 定義日: | 2013-02-01 | 最終更新日: | 2013-02-15 | 公開日: | 2013-02-15 | 識別子(ID): | ethyl (3R)-4-cyano-3-hydroxybutanoate |
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![1KA 1KA](https://data.pdbj.org/pdbjplus/data/cc/svg/1KA.svg) | 1KA | 表記: | (2-hydroxyethoxy)acetaldehyde | 組成式: | C4 H8 O3 | SMILES: | O=CCOCCO | InChi: | InChI=1S/C4H8O3/c5-1-3-7-4-2-6/h1,6H,2-4H2 | 定義日: | 2012-12-25 | 最終更新日: | 2013-02-15 | 公開日: | 2013-02-15 | 識別子(ID): | (2-hydroxyethoxy)acetaldehyde |
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![EGM EGM](https://data.pdbj.org/pdbjplus/data/cc/svg/EGM.svg) | EGM | 表記: | 4-ethylbenzoic acid | 組成式: | C9 H10 O2 | SMILES: | O=C(O)c1ccc(cc1)CC | InChi: | InChI=1S/C9H10O2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3,(H,10,11) | 定義日: | 2012-04-09 | 最終更新日: | 2013-02-15 | 公開日: | 2013-02-15 | 識別子(ID): | 4-ethylbenzoic acid |
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![AI9 AI9](https://data.pdbj.org/pdbjplus/data/cc/svg/AI9.svg) | AI9 | 表記: | [(2R,3S,4S,5E)-5-[[5-azanyl-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]imino]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate | 組成式: | C9 H15 N4 O9 P | SMILES: | O=C1NC(/N=C/C(O)C(O)C(O)COP(=O)(O)O)=C(C(=O)N1)N | InChi: | InChI=1S/C9H15N4O9P/c10-5-7(12-9(18)13-8(5)17)11-1-3(14)6(16)4(15)2-22-23(19,20)21/h1,3-4,6,14-16H,2,10H2,(H2,19,20,21)(H2,12,13,17,18)/b11-1+/t3-,4+,6-/m0/s1 | 定義日: | 2012-10-05 | 最終更新日: | 2013-02-15 | 公開日: | 2013-02-15 | 識別子(ID): | (2R,3S,4S,5E)-5-[(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)imino]-2,3,4-trihydroxypentyl dihydrogen phosphate (non-preferred name) |
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![AOF AOF](https://data.pdbj.org/pdbjplus/data/cc/svg/AOF.svg) | AOF | 表記: | N-(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-5-O-phosphono-beta-D-ribofuranosylamine | 組成式: | C9 H15 N4 O9 P | SMILES: | O=P(O)(O)OCC2OC(NC=1NC(=O)NC(=O)C=1N)C(O)C2O | InChi: | InChI=1S/C9H15N4O9P/c10-3-6(12-9(17)13-7(3)16)11-8-5(15)4(14)2(22-8)1-21-23(18,19)20/h2,4-5,8,14-15H,1,10H2,(H2,18,19,20)(H3,11,12,13,16,17)/t2-,4-,5-,8-/m1/s1 | 定義日: | 2012-08-09 | 最終更新日: | 2013-02-15 | 公開日: | 2013-02-15 | 識別子(ID): | N-(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-5-O-phosphono-beta-D-ribofuranosylamine |
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![IXW IXW](https://data.pdbj.org/pdbjplus/data/cc/svg/IXW.svg) | IXW | 表記: | ethyl (2S)-oxiran-2-ylacetate | 組成式: | C6 H10 O3 | SMILES: | O=C(OCC)CC1OC1 | InChi: | InChI=1S/C6H10O3/c1-2-8-6(7)3-5-4-9-5/h5H,2-4H2,1H3/t5-/m0/s1 | 定義日: | 2013-02-01 | 最終更新日: | 2013-02-15 | 公開日: | 2013-02-15 | 識別子(ID): | ethyl (2S)-oxiran-2-ylacetate |
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![R1Z R1Z](https://data.pdbj.org/pdbjplus/data/cc/svg/R1Z.svg) | R1Z | 表記: | Delta-[Ru(bpy)2dppz]2+ | 組成式: | C38 H26 N8 Ru | SMILES: | n1c3c9c8c4c(c3nc2c1cccc2)cccn4[Ru]7%12(n5ccccc5c6ccccn67)(n8ccc9)n%10ccccc%10c%11ccccn%11%12 | InChi: | InChI=1S/C18H10N4.2C10H8N2.Ru/c1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16 | 定義日: | 2012-03-15 | 最終更新日: | 2013-02-14 | 識別子(ID): | bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)(dipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)ruthenium |
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![SUY SUY](https://data.pdbj.org/pdbjplus/data/cc/svg/SUY.svg) | SUY | 表記: | (1R,5S,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine | 組成式: | C17 H18 Cl N7 S | SMILES: | Clc3c2c(nc(Sc1cncnc1)nc2nc3CC)N5CC4C(N)C4C5 | InChi: | InChI=1S/C17H18ClN7S/c1-2-11-13(18)12-15(22-11)23-17(26-8-3-20-7-21-4-8)24-16(12)25-5-9-10(6-25)14(9)19/h3-4,7,9-10,14H,2,5-6,19H2,1H3,(H,22,23,24)/t9-,10+,14+ | 定義日: | 2012-08-21 | 最終更新日: | 2013-02-08 | 公開日: | 2013-02-08 | 識別子(ID): | (1R,5S,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine |
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![QAP QAP](https://data.pdbj.org/pdbjplus/data/cc/svg/QAP.svg) | QAP | 表記: | 2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate | 組成式: | C17 H16 O4 | SMILES: | O=C(OCCc1ccccc1)C=Cc2cc(O)c(O)cc2 | InChi: | InChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+ | 定義日: | 2012-01-13 | 最終更新日: | 2013-02-08 | 公開日: | 2013-02-08 | 識別子(ID): | 2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
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![0HO 0HO](https://data.pdbj.org/pdbjplus/data/cc/svg/0HO.svg) | 0HO | 表記: | 2,1,3-benzothiadiazole-5-carboxylic acid | 組成式: | C7 H4 N2 O2 S | SMILES: | O=C(O)c1ccc2nsnc2c1 | InChi: | InChI=1S/C7H4N2O2S/c10-7(11)4-1-2-5-6(3-4)9-12-8-5/h1-3H,(H,10,11) | 定義日: | 2012-01-19 | 最終更新日: | 2013-02-08 | 公開日: | 2013-02-08 | 識別子(ID): | 2,1,3-benzothiadiazole-5-carboxylic acid |
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![0LU 0LU](https://data.pdbj.org/pdbjplus/data/cc/svg/0LU.svg) | 0LU | 表記: | (2S)-1-(pyrrolidin-1-yl)-3-(9H-thioxanthen-9-yl)propan-2-ol | 組成式: | C20 H23 N O S | SMILES: | OC(CN1CCCC1)CC3c4c(Sc2c3cccc2)cccc4 | InChi: | InChI=1S/C20H23NOS/c22-15(14-21-11-5-6-12-21)13-18-16-7-1-3-9-19(16)23-20-10-4-2-8-17(18)20/h1-4,7-10,15,18,22H,5-6,11-14H2/t15-/m0/s1 | 定義日: | 2012-08-16 | 最終更新日: | 2013-02-08 | 公開日: | 2013-02-08 | 識別子(ID): | (2S)-1-(pyrrolidin-1-yl)-3-(9H-thioxanthen-9-yl)propan-2-ol |
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![0LW 0LW](https://data.pdbj.org/pdbjplus/data/cc/svg/0LW.svg) | 0LW | 表記: | (2R)-1-(pyrrolidin-1-yl)-3-(9H-thioxanthen-9-yl)propan-2-ol | 組成式: | C20 H23 N O S | SMILES: | OC(CN1CCCC1)CC3c4c(Sc2c3cccc2)cccc4 | InChi: | InChI=1S/C20H23NOS/c22-15(14-21-11-5-6-12-21)13-18-16-7-1-3-9-19(16)23-20-10-4-2-8-17(18)20/h1-4,7-10,15,18,22H,5-6,11-14H2/t15-/m1/s1 | 定義日: | 2012-08-16 | 最終更新日: | 2013-02-08 | 公開日: | 2013-02-08 | 識別子(ID): | (2R)-1-(pyrrolidin-1-yl)-3-(9H-thioxanthen-9-yl)propan-2-ol |
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![0M2 0M2](https://data.pdbj.org/pdbjplus/data/cc/svg/0M2.svg) | 0M2 | 表記: | (2R)-1-(3,8-dihydrodibenzo[b,f]pyrrolo[3,4-d]azepin-2(1H)-yl)propan-2-ol | 組成式: | C19 H20 N2 O | SMILES: | OC(C)CN4CC2=C(c3c(Nc1ccccc12)cccc3)C4 | InChi: | InChI=1S/C19H20N2O/c1-13(22)10-21-11-16-14-6-2-4-8-18(14)20-19-9-5-3-7-15(19)17(16)12-21/h2-9,13,20,22H,10-12H2,1H3/t13-/m1/s1 | 定義日: | 2012-08-16 | 最終更新日: | 2013-02-08 | 公開日: | 2013-02-08 | 識別子(ID): | (2R)-1-(3,8-dihydrodibenzo[b,f]pyrrolo[3,4-d]azepin-2(1H)-yl)propan-2-ol |
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![0M3 0M3](https://data.pdbj.org/pdbjplus/data/cc/svg/0M3.svg) | 0M3 | 表記: | (3S,5R)-N-(2,2-diphenylethyl)-5-{[(4-methylphenyl)sulfonyl]amino}piperidine-3-carboxamide | 組成式: | C27 H31 N3 O3 S | SMILES: | O=S(=O)(NC3CC(C(=O)NCC(c1ccccc1)c2ccccc2)CNC3)c4ccc(cc4)C | InChi: | InChI=1S/C27H31N3O3S/c1-20-12-14-25(15-13-20)34(32,33)30-24-16-23(17-28-18-24)27(31)29-19-26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,23-24,26,28,30H,16-19H2,1H3,(H,29,31)/t23-,24+/m0/s1 | 定義日: | 2012-08-16 | 最終更新日: | 2013-02-08 | 公開日: | 2013-02-08 | 識別子(ID): | (3S,5R)-N-(2,2-diphenylethyl)-5-{[(4-methylphenyl)sulfonyl]amino}piperidine-3-carboxamide |
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![0ME 0ME](https://data.pdbj.org/pdbjplus/data/cc/svg/0ME.svg) | 0ME | 表記: | (3S)-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide | 組成式: | C20 H22 N2 O2 | SMILES: | O=C(NCC2c3c(Oc1c2cccc1)cccc3)C4CCCNC4 | InChi: | InChI=1S/C20H22N2O2/c23-20(14-6-5-11-21-12-14)22-13-17-15-7-1-3-9-18(15)24-19-10-4-2-8-16(17)19/h1-4,7-10,14,17,21H,5-6,11-13H2,(H,22,23)/t14-/m0/s1 | 定義日: | 2012-08-16 | 最終更新日: | 2013-02-08 | 公開日: | 2013-02-08 | 識別子(ID): | (3S)-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide |
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![0MJ 0MJ](https://data.pdbj.org/pdbjplus/data/cc/svg/0MJ.svg) | 0MJ | 表記: | (3S,5R)-5-{[(4-methylphenyl)sulfonyl]amino}-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide | 組成式: | C27 H29 N3 O4 S | SMILES: | O=S(=O)(c1ccc(cc1)C)NC5CC(C(=O)NCC3c4c(Oc2c3cccc2)cccc4)CNC5 | InChi: | InChI=1S/C27H29N3O4S/c1-18-10-12-21(13-11-18)35(32,33)30-20-14-19(15-28-16-20)27(31)29-17-24-22-6-2-4-8-25(22)34-26-9-5-3-7-23(24)26/h2-13,19-20,24,28,30H,14-17H2,1H3,(H,29,31)/t19-,20+/m0/s1 | 定義日: | 2012-08-16 | 最終更新日: | 2013-02-08 | 公開日: | 2013-02-08 | 識別子(ID): | (3S,5R)-5-{[(4-methylphenyl)sulfonyl]amino}-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide |
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![0N0 0N0](https://data.pdbj.org/pdbjplus/data/cc/svg/0N0.svg) | 0N0 | 表記: | (3S,5R)-N-{[9-(4-methoxybutyl)-9H-xanthen-9-yl]methyl}-5-{[(4-methylphenyl)sulfonyl]amino}piperidine-3-carboxamide | 組成式: | C32 H39 N3 O5 S | SMILES: | O=S(=O)(c1ccc(cc1)C)NC5CC(C(=O)NCC3(c4c(Oc2c3cccc2)cccc4)CCCCOC)CNC5 | InChi: | InChI=1S/C32H39N3O5S/c1-23-13-15-26(16-14-23)41(37,38)35-25-19-24(20-33-21-25)31(36)34-22-32(17-7-8-18-39-2)27-9-3-5-11-29(27)40-30-12-6-4-10-28(30)32/h3-6,9-16,24-25,33,35H,7-8,17-22H2,1-2H3,(H,34,36)/t24-,25+/m0/s1 | 定義日: | 2012-08-16 | 最終更新日: | 2013-02-08 | 公開日: | 2013-02-08 | 識別子(ID): | (3S,5R)-N-{[9-(4-methoxybutyl)-9H-xanthen-9-yl]methyl}-5-{[(4-methylphenyl)sulfonyl]amino}piperidine-3-carboxamide |
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![0WT 0WT](https://data.pdbj.org/pdbjplus/data/cc/svg/0WT.svg) | 0WT | 表記: | (1R,5S,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine | 組成式: | C17 H18 Cl N7 O | SMILES: | Clc3c2c(nc(Oc1cncnc1)nc2nc3CC)N5CC4C(N)C4C5 | InChi: | InChI=1S/C17H18ClN7O/c1-2-11-13(18)12-15(22-11)23-17(26-8-3-20-7-21-4-8)24-16(12)25-5-9-10(6-25)14(9)19/h3-4,7,9-10,14H,2,5-6,19H2,1H3,(H,22,23,24)/t9-,10+,14+ | 定義日: | 2012-08-03 | 最終更新日: | 2013-02-08 | 公開日: | 2013-02-08 | 識別子(ID): | (1R,5S,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine |
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