![V57 V57](https://data.pdbj.org/pdbjplus/data/cc/svg/V57.svg) | V57 | 表記: | 7-{[3-({[2-(pyridin-2-yl)ethyl]amino}methyl)phenoxy]methyl}quinolin-2-amine | 組成式: | C24 H24 N4 O | SMILES: | c1(nc4c(cc1)ccc(COc3cccc(CNCCc2ccccn2)c3)c4)N | InChi: | InChI=1S/C24H24N4O/c25-24-10-9-20-8-7-19(15-23(20)28-24)17-29-22-6-3-4-18(14-22)16-26-13-11-21-5-1-2-12-27-21/h1-10,12,14-15,26H,11,13,16-17H2,(H2,25,28) | 定義日: | 2020-06-26 | 最終更新日: | 2021-06-25 | 公開日: | 2021-06-30 | 識別子(ID): | 7-{[3-({[2-(pyridin-2-yl)ethyl]amino}methyl)phenoxy]methyl}quinolin-2-amine |
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![V5D V5D](https://data.pdbj.org/pdbjplus/data/cc/svg/V5D.svg) | V5D | 表記: | 7-{[3-({[4-(6-aminopyridin-2-yl)butyl]amino}methyl)phenoxy]methyl}quinolin-2-amine | 組成式: | C26 H29 N5 O | SMILES: | c1(N)cccc(n1)CCCCNCc2cc(ccc2)OCc4ccc3ccc(nc3c4)N | InChi: | InChI=1S/C26H29N5O/c27-25-9-4-7-22(30-25)6-1-2-14-29-17-19-5-3-8-23(15-19)32-18-20-10-11-21-12-13-26(28)31-24(21)16-20/h3-5,7-13,15-16,29H,1-2,6,14,17-18H2,(H2,27,30)(H2,28,31) | 定義日: | 2020-06-26 | 最終更新日: | 2021-06-25 | 公開日: | 2021-06-30 | 識別子(ID): | 7-{[3-({[4-(6-aminopyridin-2-yl)butyl]amino}methyl)phenoxy]methyl}quinolin-2-amine |
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![V5G V5G](https://data.pdbj.org/pdbjplus/data/cc/svg/V5G.svg) | V5G | 表記: | 7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine | 組成式: | C23 H22 N4 O | SMILES: | c1(nc(ccc1)CCc2cccc(c2)OCc3cc4c(cc3)ccc(N)n4)N | InChi: | InChI=1S/C23H22N4O/c24-22-6-2-4-19(26-22)11-8-16-3-1-5-20(13-16)28-15-17-7-9-18-10-12-23(25)27-21(18)14-17/h1-7,9-10,12-14H,8,11,15H2,(H2,24,26)(H2,25,27) | 定義日: | 2020-06-26 | 最終更新日: | 2021-06-25 | 公開日: | 2021-06-30 | 識別子(ID): | 7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine |
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![97Q 97Q](https://data.pdbj.org/pdbjplus/data/cc/svg/97Q.svg) | 97Q | 表記: | 2,8-bis(trifluoromethyl)quinolin-4-ol | 組成式: | C11 H5 F6 N O | SMILES: | Oc1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F | InChi: | InChI=1S/C11H5F6NO/c12-10(13,14)6-3-1-2-5-7(19)4-8(11(15,16)17)18-9(5)6/h1-4H,(H,18,19) | 定義日: | 2017-04-27 | 最終更新日: | 2021-06-25 | 公開日: | 2021-06-30 | 識別子(ID): | 2,8-bis(trifluoromethyl)quinolin-4-ol |
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![97W 97W](https://data.pdbj.org/pdbjplus/data/cc/svg/97W.svg) | 97W | 表記: | 7-(trifluoromethyl)quinolin-4-ol | 組成式: | C10 H6 F3 N O | SMILES: | Oc1ccnc2cc(ccc12)C(F)(F)F | InChi: | InChI=1S/C10H6F3NO/c11-10(12,13)6-1-2-7-8(5-6)14-4-3-9(7)15/h1-5H,(H,14,15) | 定義日: | 2017-04-28 | 最終更新日: | 2021-06-25 | 公開日: | 2021-06-30 | 識別子(ID): | 7-(trifluoromethyl)quinolin-4-ol |
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![98K 98K](https://data.pdbj.org/pdbjplus/data/cc/svg/98K.svg) | 98K | 表記: | 2-chloranyl-1~{H}-benzimidazole | 組成式: | C7 H5 Cl N2 | SMILES: | Clc1[nH]c2ccccc2n1 | InChi: | InChI=1S/C7H5ClN2/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10) | 定義日: | 2017-04-28 | 最終更新日: | 2021-06-25 | 公開日: | 2021-06-30 | 識別子(ID): | 2-chloranyl-1~{H}-benzimidazole |
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![98Q 98Q](https://data.pdbj.org/pdbjplus/data/cc/svg/98Q.svg) | 98Q | 表記: | 5-methoxy-6-(trifluoromethyl)-1~{H}-indole | 組成式: | C10 H8 F3 N O | SMILES: | COc1cc2cc[nH]c2cc1C(F)(F)F | InChi: | InChI=1S/C10H8F3NO/c1-15-9-4-6-2-3-14-8(6)5-7(9)10(11,12)13/h2-5,14H,1H3 | 定義日: | 2017-04-28 | 最終更新日: | 2021-06-25 | 公開日: | 2021-06-30 | 識別子(ID): | 5-methoxy-6-(trifluoromethyl)-1~{H}-indole |
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![98T 98T](https://data.pdbj.org/pdbjplus/data/cc/svg/98T.svg) | 98T | 表記: | methyl 3-iodanyl-4-oxidanyl-benzoate | 組成式: | C8 H7 I O3 | SMILES: | COC(=O)c1ccc(O)c(I)c1 | InChi: | InChI=1S/C8H7IO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,10H,1H3 | 定義日: | 2017-04-28 | 最終更新日: | 2021-06-25 | 公開日: | 2021-06-30 | 識別子(ID): | methyl 3-iodanyl-4-oxidanyl-benzoate |
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![98W 98W](https://data.pdbj.org/pdbjplus/data/cc/svg/98W.svg) | 98W | 表記: | dimethyl 5-oxidanylbenzene-1,3-dicarboxylate | 組成式: | C10 H10 O5 | SMILES: | COC(=O)c1cc(O)cc(c1)C(=O)OC | InChi: | InChI=1S/C10H10O5/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5,11H,1-2H3 | 定義日: | 2017-04-28 | 最終更新日: | 2021-06-25 | 公開日: | 2021-06-30 | 識別子(ID): | dimethyl 5-oxidanylbenzene-1,3-dicarboxylate |
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![98Z 98Z](https://data.pdbj.org/pdbjplus/data/cc/svg/98Z.svg) | 98Z | 表記: | 1~{H}-indole-3-carbonitrile | 組成式: | C9 H6 N2 | SMILES: | N#Cc1c[nH]c2ccccc12 | InChi: | InChI=1S/C9H6N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H | 定義日: | 2017-04-28 | 最終更新日: | 2021-06-25 | 公開日: | 2021-06-30 | 識別子(ID): | 1~{H}-indole-3-carbonitrile |
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![9EQ 9EQ](https://data.pdbj.org/pdbjplus/data/cc/svg/9EQ.svg) | 9EQ | 表記: | 1-[2,6-bis(oxidanyl)phenyl]ethanone | 組成式: | C8 H8 O3 | SMILES: | CC(=O)c1c(O)cccc1O | InChi: | InChI=1S/C8H8O3/c1-5(9)8-6(10)3-2-4-7(8)11/h2-4,10-11H,1H3 | 定義日: | 2017-05-12 | 最終更新日: | 2021-06-25 | 公開日: | 2021-06-30 | 識別子(ID): | 1-[2,6-bis(oxidanyl)phenyl]ethanone |
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![VYJ VYJ](https://data.pdbj.org/pdbjplus/data/cc/svg/VYJ.svg) | VYJ | 表記: | 11-cyclopentyl-2-({2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one | 組成式: | C36 H46 N8 O3 | SMILES: | C1(CCN(CC1)C(c6cc(c(Nc4ncc3N(C(=O)c2ccccc2N(c3n4)C5CCCC5)C)cc6)OCC)=O)N7CCN(C)CC7 | InChi: | InChI=1S/C36H46N8O3/c1-4-47-32-23-25(34(45)43-17-15-26(16-18-43)42-21-19-40(2)20-22-42)13-14-29(32)38-36-37-24-31-33(39-36)44(27-9-5-6-10-27)30-12-8-7-11-28(30)35(46)41(31)3/h7-8,11-14,23-24,26-27H,4-6,9-10,15-22H2,1-3H3,(H,37,38,39) | 定義日: | 2020-09-21 | 最終更新日: | 2021-06-25 | 公開日: | 2021-06-30 | 識別子(ID): | 11-cyclopentyl-2-({2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one |
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![T3K T3K](https://data.pdbj.org/pdbjplus/data/cc/svg/T3K.svg) | T3K | 表記: | 3-[(~{E})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-morpholin-4-yl-propan-1-one | 組成式: | C21 H30 N2 O5 | SMILES: | COc1ccc(cc1OC2CCCC2)C(C)=NOCCC(=O)N3CCOCC3 | InChi: | InChI=1S/C21H30N2O5/c1-16(22-27-12-9-21(24)23-10-13-26-14-11-23)17-7-8-19(25-2)20(15-17)28-18-5-3-4-6-18/h7-8,15,18H,3-6,9-14H2,1-2H3/b22-16+ | 定義日: | 2020-12-14 | 最終更新日: | 2021-06-25 | 公開日: | 2021-06-30 | 識別子(ID): | 3-[(~{E})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-morpholin-4-yl-propan-1-one |
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![AF6 AF6](https://data.pdbj.org/pdbjplus/data/cc/svg/AF6.svg) | AF6 | 表記: | N-benzyl-9H-beta-carbolin-3-amine | 組成式: | C18 H15 N3 | SMILES: | c1c4c(cc(n1)NCc2ccccc2)c3ccccc3n4 | InChi: | InChI=1S/C18H15N3/c1-2-6-13(7-3-1)11-19-18-10-15-14-8-4-5-9-16(14)21-17(15)12-20-18/h1-10,12,21H,11H2,(H,19,20) | 定義日: | 2018-11-01 | 最終更新日: | 2021-06-25 | 公開日: | 2021-06-30 | 識別子(ID): | N-benzyl-9H-beta-carbolin-3-amine |
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![WV1 WV1](https://data.pdbj.org/pdbjplus/data/cc/svg/WV1.svg) | WV1 | 表記: | N-{4-[(1R)-1-aminoethyl]phenyl}cyclopropanecarboxamide | 組成式: | C12 H16 N2 O | SMILES: | c2c(NC(=O)C1CC1)ccc(c2)C(C)N | InChi: | InChI=1S/C12H16N2O/c1-8(13)9-4-6-11(7-5-9)14-12(15)10-2-3-10/h4-8,10H,2-3,13H2,1H3,(H,14,15)/t8-/m1/s1 | 定義日: | 2020-11-17 | 最終更新日: | 2021-06-25 | 公開日: | 2021-06-30 | 識別子(ID): | N-{4-[(1R)-1-aminoethyl]phenyl}cyclopropanecarboxamide |
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![WV4 WV4](https://data.pdbj.org/pdbjplus/data/cc/svg/WV4.svg) | WV4 | 表記: | N-ethyl-2-fluoro-4-(methylsulfonyl)aniline | 組成式: | C9 H12 F N O2 S | SMILES: | c1cc(NCC)c(cc1S(C)(=O)=O)F | InChi: | InChI=1S/C9H12FNO2S/c1-3-11-9-5-4-7(6-8(9)10)14(2,12)13/h4-6,11H,3H2,1-2H3 | 定義日: | 2020-11-17 | 最終更新日: | 2021-06-25 | 公開日: | 2021-06-30 | 識別子(ID): | N-ethyl-2-fluoro-4-(methylsulfonyl)aniline |
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![WVD WVD](https://data.pdbj.org/pdbjplus/data/cc/svg/WVD.svg) | WVD | 表記: | 4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-one | 組成式: | C9 H11 N3 O2 S | SMILES: | C2NC(=O)CN(C(c1c(C)ncs1)=O)C2 | InChi: | InChI=1S/C9H11N3O2S/c1-6-8(15-5-11-6)9(14)12-3-2-10-7(13)4-12/h5H,2-4H2,1H3,(H,10,13) | 定義日: | 2020-11-17 | 最終更新日: | 2021-06-25 | 公開日: | 2021-06-30 | 識別子(ID): | 4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-one |
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![WZ7 WZ7](https://data.pdbj.org/pdbjplus/data/cc/svg/WZ7.svg) | WZ7 | 表記: | 2-[(cyclopent-3-en-1-yl)amino]pyridine-4-carboxamide | 組成式: | C11 H13 N3 O | SMILES: | c2cnc(NC1CC=CC1)cc2C(=O)N | InChi: | InChI=1S/C11H13N3O/c12-11(15)8-5-6-13-10(7-8)14-9-3-1-2-4-9/h1-2,5-7,9H,3-4H2,(H2,12,15)(H,13,14) | 定義日: | 2020-11-18 | 最終更新日: | 2021-06-25 | 公開日: | 2021-06-30 | 識別子(ID): | 2-[(cyclopent-3-en-1-yl)amino]pyridine-4-carboxamide |
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![WZM WZM](https://data.pdbj.org/pdbjplus/data/cc/svg/WZM.svg) | WZM | 表記: | 6-[cyclobutyl(methyl)amino]pyridazine-3-carboxamide | 組成式: | C10 H14 N4 O | SMILES: | c1(ccc(nn1)N(C)C2CCC2)C(=O)N | InChi: | InChI=1S/C10H14N4O/c1-14(7-3-2-4-7)9-6-5-8(10(11)15)12-13-9/h5-7H,2-4H2,1H3,(H2,11,15) | 定義日: | 2020-11-19 | 最終更新日: | 2021-06-25 | 公開日: | 2021-06-30 | 識別子(ID): | 6-[cyclobutyl(methyl)amino]pyridazine-3-carboxamide |
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![WZP WZP](https://data.pdbj.org/pdbjplus/data/cc/svg/WZP.svg) | WZP | 表記: | 2-methyl-1-[4-(propan-2-yl)piperazin-1-yl]propan-1-one | 組成式: | C11 H22 N2 O | SMILES: | C1CN(C(C(C)C)=O)CCN1C(C)C | InChi: | InChI=1S/C11H22N2O/c1-9(2)11(14)13-7-5-12(6-8-13)10(3)4/h9-10H,5-8H2,1-4H3 | 定義日: | 2020-11-19 | 最終更新日: | 2021-06-25 | 公開日: | 2021-06-30 | 識別子(ID): | 2-methyl-1-[4-(propan-2-yl)piperazin-1-yl]propan-1-one |
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![WZS WZS](https://data.pdbj.org/pdbjplus/data/cc/svg/WZS.svg) | WZS | 表記: | 1-{4-[(2-phenylethyl)amino]piperidin-1-yl}ethan-1-one | 組成式: | C15 H22 N2 O | SMILES: | c2c(CCNC1CCN(C(C)=O)CC1)cccc2 | InChi: | InChI=1S/C15H22N2O/c1-13(18)17-11-8-15(9-12-17)16-10-7-14-5-3-2-4-6-14/h2-6,15-16H,7-12H2,1H3 | 定義日: | 2020-11-19 | 最終更新日: | 2021-06-25 | 公開日: | 2021-06-30 | 識別子(ID): | 1-{4-[(2-phenylethyl)amino]piperidin-1-yl}ethan-1-one |
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![WZY WZY](https://data.pdbj.org/pdbjplus/data/cc/svg/WZY.svg) | WZY | 表記: | N-(4-methoxyphenyl)glycinamide | 組成式: | C9 H12 N2 O2 | SMILES: | N(c1ccc(cc1)OC)C(CN)=O | InChi: | InChI=1S/C9H12N2O2/c1-13-8-4-2-7(3-5-8)11-9(12)6-10/h2-5H,6,10H2,1H3,(H,11,12) | 定義日: | 2020-11-19 | 最終更新日: | 2021-06-25 | 公開日: | 2021-06-30 | 識別子(ID): | N-(4-methoxyphenyl)glycinamide |
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![X0G X0G](https://data.pdbj.org/pdbjplus/data/cc/svg/X0G.svg) | X0G | 表記: | 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine | 組成式: | C10 H15 N3 O2 | SMILES: | C3N(Cc1nc(no1)C2CC2)CCOC3 | InChi: | InChI=1S/C10H15N3O2/c1-2-8(1)10-11-9(15-12-10)7-13-3-5-14-6-4-13/h8H,1-7H2 | 定義日: | 2020-11-19 | 最終更新日: | 2021-06-25 | 公開日: | 2021-06-30 | 識別子(ID): | 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine |
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![X0M X0M](https://data.pdbj.org/pdbjplus/data/cc/svg/X0M.svg) | X0M | 表記: | N-[(3S)-1,2,3,4-tetrahydroquinolin-3-yl]acetamide | 組成式: | C11 H14 N2 O | SMILES: | c2c1CC(CNc1ccc2)NC(C)=O | InChi: | InChI=1S/C11H14N2O/c1-8(14)13-10-6-9-4-2-3-5-11(9)12-7-10/h2-5,10,12H,6-7H2,1H3,(H,13,14)/t10-/m0/s1 | 定義日: | 2020-11-19 | 最終更新日: | 2021-06-25 | 公開日: | 2021-06-30 | 識別子(ID): | N-[(3S)-1,2,3,4-tetrahydroquinolin-3-yl]acetamide |
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![X0S X0S](https://data.pdbj.org/pdbjplus/data/cc/svg/X0S.svg) | X0S | 表記: | 2-chloro-N-methylbenzene-1-sulfonamide | 組成式: | C7 H8 Cl N O2 S | SMILES: | c1c(S(NC)(=O)=O)c(Cl)ccc1 | InChi: | InChI=1S/C7H8ClNO2S/c1-9-12(10,11)7-5-3-2-4-6(7)8/h2-5,9H,1H3 | 定義日: | 2020-11-19 | 最終更新日: | 2021-06-25 | 公開日: | 2021-06-30 | 識別子(ID): | 2-chloro-N-methylbenzene-1-sulfonamide |
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