![658 658](https://data.pdbj.org/pdbjplus/data/cc/svg/658.svg) | 658 | 表記: | N-(4-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-4-amine | 組成式: | C15 H14 Cl N5 | SMILES: | n2ccc(Nc1ccc(Cl)cc1)nc2n3c(cc(n3)C)C | InChi: | InChI=1S/C15H14ClN5/c1-10-9-11(2)21(20-10)15-17-8-7-14(19-15)18-13-5-3-12(16)4-6-13/h3-9H,1-2H3,(H,17,18,19) | 定義日: | 2016-01-26 | 最終更新日: | 2018-03-02 | 公開日: | 2018-03-07 | 識別子(ID): | N-(4-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-4-amine |
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![DX DX](https://data.pdbj.org/pdbjplus/data/cc/svg/DX.svg) | DX | 表記: | [(2~{R},3~{S},5~{R})-5-[2,4-bis(oxidanylidene)imidazo[1,2-a][1,3,5]triazin-8-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate | 組成式: | C10 H13 N4 O8 P | SMILES: | O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=CN3C(=O)NC(=O)N=C23 | InChi: | InChI=1S/C10H13N4O8P/c15-5-3-7(22-6(5)4-21-23(18,19)20)13-1-2-14-9(13)11-8(16)12-10(14)17/h1-2,5-7,15H,3-4H2,(H,12,16,17)(H2,18,19,20)/t5-,6+,7+/m0/s1 | 定義日: | 2016-07-19 | 最終更新日: | 2018-03-02 | 公開日: | 2018-03-07 | 識別子(ID): | [(2~{R},3~{S},5~{R})-5-[2,4-bis(oxidanylidene)imidazo[1,2-a][1,3,5]triazin-8-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
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![EZG EZG](https://data.pdbj.org/pdbjplus/data/cc/svg/EZG.svg) | EZG | 表記: | N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-L-histidinamide | 組成式: | C15 H19 N5 O5 | SMILES: | c2(CC(N)C(NC(C(c1ccc([N+]([O-])=O)cc1)O)CO)=O)ncnc2 | InChi: | InChI=1S/C15H19N5O5/c16-12(5-10-6-17-8-18-10)15(23)19-13(7-21)14(22)9-1-3-11(4-2-9)20(24)25/h1-4,6,8,12-14,21-22H,5,7,16H2,(H,17,18)(H,19,23)/t12-,13+,14+/m0/s1 | 定義日: | 2018-02-16 | 最終更新日: | 2018-03-02 | 公開日: | 2018-03-07 | 識別子(ID): | N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-L-histidinamide |
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![EZM EZM](https://data.pdbj.org/pdbjplus/data/cc/svg/EZM.svg) | EZM | 表記: | N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-L-lysinamide | 組成式: | C15 H24 N4 O5 | SMILES: | c1cc([N+]([O-])=O)ccc1C(O)C(NC(C(N)CCCCN)=O)CO | InChi: | InChI=1S/C15H24N4O5/c16-8-2-1-3-12(17)15(22)18-13(9-20)14(21)10-4-6-11(7-5-10)19(23)24/h4-7,12-14,20-21H,1-3,8-9,16-17H2,(H,18,22)/t12-,13+,14+/m0/s1 | 定義日: | 2018-02-16 | 最終更新日: | 2018-03-02 | 公開日: | 2018-03-07 | 識別子(ID): | N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-L-lysinamide |
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![EZP EZP](https://data.pdbj.org/pdbjplus/data/cc/svg/EZP.svg) | EZP | 表記: | N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-D-histidinamide | 組成式: | C15 H19 N5 O5 | SMILES: | c1cc(N(=O)=O)ccc1C(O)C(NC(C(Cc2cncn2)N)=O)CO | InChi: | InChI=1S/C15H19N5O5/c16-12(5-10-6-17-8-18-10)15(23)19-13(7-21)14(22)9-1-3-11(4-2-9)20(24)25/h1-4,6,8,12-14,21-22H,5,7,16H2,(H,17,18)(H,19,23)/t12-,13-,14-/m1/s1 | 定義日: | 2018-02-16 | 最終更新日: | 2018-03-02 | 公開日: | 2018-03-07 | 識別子(ID): | N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-D-histidinamide |
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![F57 F57](https://data.pdbj.org/pdbjplus/data/cc/svg/F57.svg) | F57 | 表記: | (2R)-1-(decanoyloxy)-3-(phosphonooxy)propan-2-yl octadecanoate | 組成式: | C31 H61 O8 P | SMILES: | CCCCCCCCCCCCCCCCCC(=O)OC(COP(=O)(O)O)COC(=O)CCCCCCCCC | InChi: | InChI=1S/C31H61O8P/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-31(33)39-29(28-38-40(34,35)36)27-37-30(32)25-23-21-19-10-8-6-4-2/h29H,3-28H2,1-2H3,(H2,34,35,36)/t29-/m1/s1 | 定義日: | 2018-03-01 | 最終更新日: | 2018-03-02 | 公開日: | 2018-03-07 | 識別子(ID): | (2R)-1-(decanoyloxy)-3-(phosphonooxy)propan-2-yl octadecanoate |
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![F61 F61](https://data.pdbj.org/pdbjplus/data/cc/svg/F61.svg) | F61 | 表記: | N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]undecanamide | 組成式: | C35 H69 N O9 | SMILES: | C(OC1C(C(C(C(O1)CO)O)O)O)C(NC(CCCCCCCCCC)=O)C(C(O)CCCCCCCCCCCCCC)O | InChi: | InChI=1S/C35H69NO9/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-28(38)31(40)27(36-30(39)24-22-20-18-12-10-8-6-4-2)26-44-35-34(43)33(42)32(41)29(25-37)45-35/h27-29,31-35,37-38,40-43H,3-26H2,1-2H3,(H,36,39)/t27-,28+,29+,31-,32-,33-,34+,35-/m0/s1 | 定義日: | 2018-03-01 | 最終更新日: | 2018-03-02 | 公開日: | 2018-03-07 | 識別子(ID): | N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]undecanamide |
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![86U 86U](https://data.pdbj.org/pdbjplus/data/cc/svg/86U.svg) | 86U | 表記: | 6,7-bis(fluoranyl)-3-[3-[(2R)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one | 組成式: | C16 H17 F2 N3 O2 | SMILES: | Fc1cc2N=CN(CCC[CH]3NCCCC3=O)C(=O)c2cc1F | InChi: | InChI=1S/C16H17F2N3O2/c17-11-7-10-14(8-12(11)18)20-9-21(16(10)23)6-2-3-13-15(22)4-1-5-19-13/h7-9,13,19H,1-6H2/t13-/m1/s1 | 定義日: | 2017-04-27 | 最終更新日: | 2018-03-02 | 公開日: | 2018-03-07 | 識別子(ID): | 6,7-bis(fluoranyl)-3-[3-[(2~{R})-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one |
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![86X 86X](https://data.pdbj.org/pdbjplus/data/cc/svg/86X.svg) | 86X | 表記: | 6-chloranyl-7-fluoranyl-3-[3-[(2R)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one | 組成式: | C16 H17 Cl F N3 O2 | SMILES: | Fc1cc2N=CN(CCC[CH]3NCCCC3=O)C(=O)c2cc1Cl | InChi: | InChI=1S/C16H17ClFN3O2/c17-11-7-10-14(8-12(11)18)20-9-21(16(10)23)6-2-3-13-15(22)4-1-5-19-13/h7-9,13,19H,1-6H2/t13-/m1/s1 | 定義日: | 2017-04-27 | 最終更新日: | 2018-03-02 | 公開日: | 2018-03-07 | 識別子(ID): | 6-chloranyl-7-fluoranyl-3-[3-[(2~{R})-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one |
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![873 873](https://data.pdbj.org/pdbjplus/data/cc/svg/873.svg) | 873 | 表記: | 3-[(2R)-2-oxidanyl-3-[(2R,3R)-3-oxidanylpiperidin-2-yl]propyl]quinazolin-4-one | 組成式: | C16 H21 N3 O3 | SMILES: | O[CH](C[CH]1NCCC[CH]1O)CN2C=Nc3ccccc3C2=O | InChi: | InChI=1S/C16H21N3O3/c20-11(8-14-15(21)6-3-7-17-14)9-19-10-18-13-5-2-1-4-12(13)16(19)22/h1-2,4-5,10-11,14-15,17,20-21H,3,6-9H2/t11-,14-,15-/m1/s1 | 定義日: | 2017-04-27 | 最終更新日: | 2018-03-02 | 公開日: | 2018-03-07 | 識別子(ID): | 3-[(2~{R})-2-oxidanyl-3-[(2~{R},3~{R})-3-oxidanylpiperidin-2-yl]propyl]quinazolin-4-one |
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![87C 87C](https://data.pdbj.org/pdbjplus/data/cc/svg/87C.svg) | 87C | 表記: | 3-[2-oxidanylidene-3-[(2R,3R)-3-oxidanylpiperidin-2-yl]propyl]-5,6,7,8-tetrahydroquinazolin-4-one | 組成式: | C16 H23 N3 O3 | SMILES: | O[CH]1CCCN[CH]1CC(=O)CN2C=NC3=C(CCCC3)C2=O | InChi: | InChI=1S/C16H23N3O3/c20-11(8-14-15(21)6-3-7-17-14)9-19-10-18-13-5-2-1-4-12(13)16(19)22/h10,14-15,17,21H,1-9H2/t14-,15-/m1/s1 | 定義日: | 2017-04-27 | 最終更新日: | 2018-03-02 | 公開日: | 2018-03-07 | 識別子(ID): | 3-[2-oxidanylidene-3-[(2~{R},3~{R})-3-oxidanylpiperidin-2-yl]propyl]-5,6,7,8-tetrahydroquinazolin-4-one |
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![87F 87F](https://data.pdbj.org/pdbjplus/data/cc/svg/87F.svg) | 87F | 表記: | 3-[3-[(2R)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one | 組成式: | C16 H19 N3 O2 | SMILES: | O=C1CCCN[CH]1CCCN2C=Nc3ccccc3C2=O | InChi: | InChI=1S/C16H19N3O2/c20-15-8-3-9-17-14(15)7-4-10-19-11-18-13-6-2-1-5-12(13)16(19)21/h1-2,5-6,11,14,17H,3-4,7-10H2/t14-/m1/s1 | 定義日: | 2017-04-28 | 最終更新日: | 2018-03-02 | 公開日: | 2018-03-07 | 識別子(ID): | 3-[3-[(2~{R})-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one |
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![504 504](https://data.pdbj.org/pdbjplus/data/cc/svg/504.svg) | 504 | 表記: | 2-{3-[3-(piperidin-4-yl)propoxy]phenyl}-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide | 組成式: | C26 H29 N5 O2 S | SMILES: | c1cc(cc(c1)CC(=O)Nc2scc(n2)c3cnc4c3cccn4)OCCCC5CCNCC5 | InChi: | InChI=1S/C26H29N5O2S/c32-24(31-26-30-23(17-34-26)22-16-29-25-21(22)7-2-10-28-25)15-19-4-1-6-20(14-19)33-13-3-5-18-8-11-27-12-9-18/h1-2,4,6-7,10,14,16-18,27H,3,5,8-9,11-13,15H2,(H,28,29)(H,30,31,32) | 定義日: | 2017-03-06 | 最終更新日: | 2018-03-02 | 公開日: | 2018-03-07 | 識別子(ID): | 2-{3-[3-(piperidin-4-yl)propoxy]phenyl}-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide |
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![8UV 8UV](https://data.pdbj.org/pdbjplus/data/cc/svg/8UV.svg) | 8UV | 表記: | N-[4-(2-aminopyridin-4-yl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide | 組成式: | C17 H16 N4 O2 S | SMILES: | COc3cccc(CC(Nc1nc(cs1)c2ccnc(c2)N)=O)c3 | InChi: | InChI=1S/C17H16N4O2S/c1-23-13-4-2-3-11(7-13)8-16(22)21-17-20-14(10-24-17)12-5-6-19-15(18)9-12/h2-7,9-10H,8H2,1H3,(H2,18,19)(H,20,21,22) | 定義日: | 2017-03-06 | 最終更新日: | 2018-03-02 | 公開日: | 2018-03-07 | 識別子(ID): | N-[4-(2-aminopyridin-4-yl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide |
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![8WD 8WD](https://data.pdbj.org/pdbjplus/data/cc/svg/8WD.svg) | 8WD | 表記: | N-{(3-endo)-8-[(trans-4-aminocyclohexyl)sulfonyl]-8-azabicyclo[3.2.1]octan-3-yl}-5-cyclopropyl-1,2-oxazole-3-carboxamide | 組成式: | C20 H30 N4 O4 S | SMILES: | NC1CCC(CC1)S(=O)(=O)N2C3CCC2CC(C3)NC(c5noc(C4CC4)c5)=O | InChi: | InChI=1S/C20H30N4O4S/c21-13-3-7-17(8-4-13)29(26,27)24-15-5-6-16(24)10-14(9-15)22-20(25)18-11-19(28-23-18)12-1-2-12/h11-17H,1-10,21H2,(H,22,25)/t13-,14-,15+,16-,17- | 定義日: | 2017-03-10 | 最終更新日: | 2018-03-02 | 公開日: | 2018-03-07 | 識別子(ID): | N-{(3-endo)-8-[(trans-4-aminocyclohexyl)sulfonyl]-8-azabicyclo[3.2.1]octan-3-yl}-5-cyclopropyl-1,2-oxazole-3-carboxamide |
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![93D 93D](https://data.pdbj.org/pdbjplus/data/cc/svg/93D.svg) | 93D | 表記: | (1R)-1,4-anhydro-2-deoxy-1-(2,4-diaminopyrimidin-5-yl)-5-O-phosphono-D-erythro-pentitol | 組成式: | C9 H15 N4 O6 P | SMILES: | P(OCC1C(O)CC(O1)c2cnc(nc2N)N)(O)(=O)O | InChi: | InChI=1S/C9H15N4O6P/c10-8-4(2-12-9(11)13-8)6-1-5(14)7(19-6)3-18-20(15,16)17/h2,5-7,14H,1,3H2,(H2,15,16,17)(H4,10,11,12,13)/t5-,6+,7+/m0/s1 | 定義日: | 2017-03-31 | 最終更新日: | 2018-03-02 | 公開日: | 2018-03-07 | 識別子(ID): | (1R)-1,4-anhydro-2-deoxy-1-(2,4-diaminopyrimidin-5-yl)-5-O-phosphono-D-erythro-pentitol |
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![97H 97H](https://data.pdbj.org/pdbjplus/data/cc/svg/97H.svg) | 97H | 表記: | 2-(3-aminophenyl)-3~{H}-quinazolin-4-one | 組成式: | C14 H11 N3 O | SMILES: | Nc1cccc(c1)C2=Nc3ccccc3C(=O)N2 | InChi: | InChI=1S/C14H11N3O/c15-10-5-3-4-9(8-10)13-16-12-7-2-1-6-11(12)14(18)17-13/h1-8H,15H2,(H,16,17,18) | 定義日: | 2017-04-27 | 最終更新日: | 2018-03-02 | 公開日: | 2018-03-07 | 識別子(ID): | 2-(3-aminophenyl)-3~{H}-quinazolin-4-one |
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![97K 97K](https://data.pdbj.org/pdbjplus/data/cc/svg/97K.svg) | 97K | 表記: | 2-(2~{H}-indazol-5-yl)-3~{H}-quinazolin-4-one | 組成式: | C15 H10 N4 O | SMILES: | O=C1NC(=Nc2ccccc12)c3ccc4n[nH]cc4c3 | InChi: | InChI=1S/C15H10N4O/c20-15-11-3-1-2-4-13(11)17-14(18-15)9-5-6-12-10(7-9)8-16-19-12/h1-8H,(H,16,19)(H,17,18,20) | 定義日: | 2017-04-27 | 最終更新日: | 2018-03-02 | 公開日: | 2018-03-07 | 識別子(ID): | 2-(2~{H}-indazol-5-yl)-3~{H}-quinazolin-4-one |
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![97Z 97Z](https://data.pdbj.org/pdbjplus/data/cc/svg/97Z.svg) | 97Z | 表記: | 2-[4-morpholin-4-yl]-3,4-dihydroquinazolin-4-one | 組成式: | C18 H17 N3 O2 | SMILES: | O=C1NC(=Nc2ccccc12)c3ccc(cc3)N4CCOCC4 | InChi: | InChI=1S/C18H17N3O2/c22-18-15-3-1-2-4-16(15)19-17(20-18)13-5-7-14(8-6-13)21-9-11-23-12-10-21/h1-8H,9-12H2,(H,19,20,22) | 定義日: | 2017-04-28 | 最終更新日: | 2018-03-02 | 公開日: | 2018-03-07 | 識別子(ID): | 2-(4-morpholin-4-ylphenyl)-3~{H}-quinazolin-4-one |
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![9U7 9U7](https://data.pdbj.org/pdbjplus/data/cc/svg/9U7.svg) | 9U7 | 表記: | 1-{3-[6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-[(3S)-oxolan-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one | 組成式: | C25 H30 N6 O2 | SMILES: | c64c(c(N2CCCc1cc(ccc12)c3cnn(c3)C)nn4C5CCOC5)CN(C(C)=O)CC6 | InChi: | InChI=1S/C25H30N6O2/c1-17(32)29-10-7-24-22(15-29)25(27-31(24)21-8-11-33-16-21)30-9-3-4-19-12-18(5-6-23(19)30)20-13-26-28(2)14-20/h5-6,12-14,21H,3-4,7-11,15-16H2,1-2H3/t21-/m0/s1 | 定義日: | 2017-06-09 | 最終更新日: | 2018-03-02 | 公開日: | 2018-03-07 | 識別子(ID): | 1-{3-[6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-[(3S)-oxolan-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one |
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![9UA 9UA](https://data.pdbj.org/pdbjplus/data/cc/svg/9UA.svg) | 9UA | 表記: | 1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-[(3S)-oxolan-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one | 組成式: | C26 H30 F2 N6 O2 | SMILES: | C1CC(CO1)n6c2CCN(C(C)=O)Cc2c(N4CCCc3cc(c(cc34)C(F)F)c5cnn(c5)C)n6 | InChi: | InChI=1S/C26H30F2N6O2/c1-16(35)32-8-5-23-22(14-32)26(30-34(23)19-6-9-36-15-19)33-7-3-4-17-10-20(18-12-29-31(2)13-18)21(25(27)28)11-24(17)33/h10-13,19,25H,3-9,14-15H2,1-2H3/t19-/m0/s1 | 定義日: | 2017-06-09 | 最終更新日: | 2018-03-02 | 公開日: | 2018-03-07 | 識別子(ID): | 1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-[(3S)-oxolan-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one |
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![9UD 9UD](https://data.pdbj.org/pdbjplus/data/cc/svg/9UD.svg) | 9UD | 表記: | 1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one | 組成式: | C27 H32 F2 N6 O2 | SMILES: | c1(c(cc2c(c1)CCCN2c4nn(C3CCOCC3)c5CCN(Cc45)C(=O)C)C(F)F)c6cn(nc6)C | InChi: | InChI=1S/C27H32F2N6O2/c1-17(36)33-9-5-24-23(16-33)27(31-35(24)20-6-10-37-11-7-20)34-8-3-4-18-12-21(19-14-30-32(2)15-19)22(26(28)29)13-25(18)34/h12-15,20,26H,3-11,16H2,1-2H3 | 定義日: | 2017-06-09 | 最終更新日: | 2018-03-02 | 公開日: | 2018-03-07 | 識別子(ID): | 1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one |
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![9UG 9UG](https://data.pdbj.org/pdbjplus/data/cc/svg/9UG.svg) | 9UG | 表記: | (2R)-N,2,7-trimethyl-2,3-dihydro-4H-1,4-benzoxazine-4-carboxamide | 組成式: | C12 H16 N2 O2 | SMILES: | c1cc(cc2c1N(CC(C)O2)C(NC)=O)C | InChi: | InChI=1S/C12H16N2O2/c1-8-4-5-10-11(6-8)16-9(2)7-14(10)12(15)13-3/h4-6,9H,7H2,1-3H3,(H,13,15)/t9-/m1/s1 | 定義日: | 2017-06-09 | 最終更新日: | 2018-03-02 | 公開日: | 2018-03-07 | 識別子(ID): | (2R)-N,2,7-trimethyl-2,3-dihydro-4H-1,4-benzoxazine-4-carboxamide |
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![9VK 9VK](https://data.pdbj.org/pdbjplus/data/cc/svg/9VK.svg) | 9VK | 表記: | (2~{S})-2-[4-(4,4-dimethylcyclohexen-1-yl)-2-methyl-5-pyridin-2-yl-thiophen-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid | 組成式: | C24 H31 N O3 S | SMILES: | Cc1sc(c2ccccn2)c(C3=CCC(C)(C)CC3)c1[CH](OC(C)(C)C)C(O)=O | InChi: | InChI=1S/C24H31NO3S/c1-15-18(20(22(26)27)28-23(2,3)4)19(16-10-12-24(5,6)13-11-16)21(29-15)17-9-7-8-14-25-17/h7-10,14,20H,11-13H2,1-6H3,(H,26,27)/t20-/m0/s1 | 定義日: | 2017-07-18 | 最終更新日: | 2018-03-02 | 公開日: | 2018-03-07 | 識別子(ID): | (2~{S})-2-[4-(4,4-dimethylcyclohexen-1-yl)-2-methyl-5-pyridin-2-yl-thiophen-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid |
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![9VN 9VN](https://data.pdbj.org/pdbjplus/data/cc/svg/9VN.svg) | 9VN | 表記: | (2~{S})-2-[4-(4,4-dimethylcyclohexen-1-yl)-2-methyl-5-pyridin-4-yl-thiophen-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid | 組成式: | C24 H31 N O3 S | SMILES: | Cc1sc(c2ccncc2)c(C3=CCC(C)(C)CC3)c1[CH](OC(C)(C)C)C(O)=O | InChi: | InChI=1S/C24H31NO3S/c1-15-18(20(22(26)27)28-23(2,3)4)19(16-7-11-24(5,6)12-8-16)21(29-15)17-9-13-25-14-10-17/h7,9-10,13-14,20H,8,11-12H2,1-6H3,(H,26,27)/t20-/m0/s1 | 定義日: | 2017-07-18 | 最終更新日: | 2018-03-02 | 公開日: | 2018-03-07 | 識別子(ID): | (2~{S})-2-[4-(4,4-dimethylcyclohexen-1-yl)-2-methyl-5-pyridin-4-yl-thiophen-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid |
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