![ZI3 ZI3](https://data.pdbj.org/pdbjplus/data/cc/svg/ZI3.svg) | ZI3 | 表記: | N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide | 組成式: | C22 H23 Cl N2 O3 | SMILES: | O=C(NC1(COC1)c1ccc(Cl)cc1)c1cccc2N(CCCc21)C(=O)CC | InChi: | InChI=1S/C22H23ClN2O3/c1-2-20(26)25-12-4-6-17-18(5-3-7-19(17)25)21(27)24-22(13-28-14-22)15-8-10-16(23)11-9-15/h3,5,7-11H,2,4,6,12-14H2,1H3,(H,24,27) | 定義日: | 2023-06-23 | 最終更新日: | 2023-06-30 | 公開日: | 2023-07-05 | 識別子(ID): | N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide |
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![NE4 NE4](https://data.pdbj.org/pdbjplus/data/cc/svg/NE4.svg) | NE4 | 表記: | (8alpha,9beta,10alpha,13alpha)-kaur-16-en-18-oic acid | 組成式: | C20 H30 O2 | SMILES: | C324C(C1(CCCC(C(O)=O)(C1CC2)C)C)CCC(C3)/C(=C)C4 | InChi: | InChI=1S/C20H30O2/c1-13-11-20-10-7-15-18(2,16(20)6-5-14(13)12-20)8-4-9-19(15,3)17(21)22/h14-16H,1,4-12H2,2-3H3,(H,21,22)/t14-,15+,16+,18-,19-,20-/m1/s1 | 別名: | ent-kaurenoic acid | 定義日: | 2019-05-14 | 最終更新日: | 2023-06-30 | 公開日: | 2023-07-05 | 識別子(ID): | (8alpha,9beta,10alpha,13alpha)-kaur-16-en-18-oic acid |
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![XER XER](https://data.pdbj.org/pdbjplus/data/cc/svg/XER.svg) | XER | 表記: | 3-chloro-5-fluorothieno[3,2-b]thiophene-2-carboxylic acid | 組成式: | C7 H2 Cl F O2 S2 | SMILES: | Fc1cc2sc(c(Cl)c2s1)C(=O)O | InChi: | InChI=1S/C7H2ClFO2S2/c8-4-5-2(1-3(9)13-5)12-6(4)7(10)11/h1H,(H,10,11) | 定義日: | 2022-11-14 | 最終更新日: | 2023-06-30 | 公開日: | 2023-07-05 | 識別子(ID): | 3-chloro-5-fluorothieno[3,2-b]thiophene-2-carboxylic acid |
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![ZI8 ZI8](https://data.pdbj.org/pdbjplus/data/cc/svg/ZI8.svg) | ZI8 | 表記: | N-[3-(4-chlorophenyl)oxetan-3-yl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide | 組成式: | C20 H21 Cl N2 O3 | SMILES: | O=C(NC1(COC1)c1ccc(Cl)cc1)c1ccc(cc1)N1CCC(O)C1 | InChi: | InChI=1S/C20H21ClN2O3/c21-16-5-3-15(4-6-16)20(12-26-13-20)22-19(25)14-1-7-17(8-2-14)23-10-9-18(24)11-23/h1-8,18,24H,9-13H2,(H,22,25)/t18-/m0/s1 | 定義日: | 2023-06-23 | 最終更新日: | 2023-06-30 | 公開日: | 2023-07-05 | 識別子(ID): | N-[3-(4-chlorophenyl)oxetan-3-yl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide |
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![XGT XGT](https://data.pdbj.org/pdbjplus/data/cc/svg/XGT.svg) | XGT | 表記: | (2M)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]benzoic acid | 組成式: | C17 H13 N O2 S | SMILES: | O=C(O)c1ccccc1c1csc(n1)c1ccc(C)cc1 | InChi: | InChI=1S/C17H13NO2S/c1-11-6-8-12(9-7-11)16-18-15(10-21-16)13-4-2-3-5-14(13)17(19)20/h2-10H,1H3,(H,19,20) | 定義日: | 2022-11-16 | 最終更新日: | 2023-06-30 | 公開日: | 2023-07-05 | 識別子(ID): | (2M)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]benzoic acid |
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![W3N W3N](https://data.pdbj.org/pdbjplus/data/cc/svg/W3N.svg) | W3N | 表記: | 1-[(1S)-1-[3-(1H-imidazol-4-yl)phenyl]ethyl]-5-(1H-indazol-7-yl)pyrimidine-2,4-dione | 組成式: | C22 H18 N6 O2 | SMILES: | C[CH](N1C=C(C(=O)NC1=O)c2cccc3cn[nH]c23)c4cccc(c4)c5c[nH]cn5 | InChi: | InChI=1S/C22H18N6O2/c1-13(14-4-2-5-15(8-14)19-10-23-12-24-19)28-11-18(21(29)26-22(28)30)17-7-3-6-16-9-25-27-20(16)17/h2-13H,1H3,(H,23,24)(H,25,27)(H,26,29,30)/t13-/m0/s1 | 定義日: | 2023-04-26 | 最終更新日: | 2023-06-30 | 公開日: | 2023-07-05 | 識別子(ID): | 1-[(1~{S})-1-[3-(1~{H}-imidazol-4-yl)phenyl]ethyl]-5-(1~{H}-indazol-7-yl)pyrimidine-2,4-dione |
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![W3R W3R](https://data.pdbj.org/pdbjplus/data/cc/svg/W3R.svg) | W3R | 表記: | 5-(1H-indazol-7-yl)-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione | 組成式: | C19 H16 N4 O2 | SMILES: | C[CH](N1C=C(C(=O)NC1=O)c2cccc3cn[nH]c23)c4ccccc4 | InChi: | InChI=1S/C19H16N4O2/c1-12(13-6-3-2-4-7-13)23-11-16(18(24)21-19(23)25)15-9-5-8-14-10-20-22-17(14)15/h2-12H,1H3,(H,20,22)(H,21,24,25)/t12-/m0/s1 | 定義日: | 2023-04-26 | 最終更新日: | 2023-06-30 | 公開日: | 2023-07-05 | 識別子(ID): | 5-(1~{H}-indazol-7-yl)-1-[(1~{S})-1-phenylethyl]pyrimidine-2,4-dione |
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![W3W W3W](https://data.pdbj.org/pdbjplus/data/cc/svg/W3W.svg) | W3W | 表記: | 5-[3,5-bis(fluoranyl)phenyl]-1-[(1S)-1-[3-(1H-imidazol-5-yl)phenyl]ethyl]pyrimidine-2,4-dione | 組成式: | C21 H16 F2 N4 O2 | SMILES: | C[CH](N1C=C(C(=O)NC1=O)c2cc(F)cc(F)c2)c3cccc(c3)c4[nH]cnc4 | InChi: | InChI=1S/C21H16F2N4O2/c1-12(13-3-2-4-14(5-13)19-9-24-11-25-19)27-10-18(20(28)26-21(27)29)15-6-16(22)8-17(23)7-15/h2-12H,1H3,(H,24,25)(H,26,28,29)/t12-/m0/s1 | 定義日: | 2023-04-26 | 最終更新日: | 2023-06-30 | 公開日: | 2023-07-05 | 識別子(ID): | 5-[3,5-bis(fluoranyl)phenyl]-1-[(1~{S})-1-[3-(1~{H}-imidazol-5-yl)phenyl]ethyl]pyrimidine-2,4-dione |
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![W40 W40](https://data.pdbj.org/pdbjplus/data/cc/svg/W40.svg) | W40 | 表記: | 5-[3,5-bis(fluoranyl)phenyl]-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione | 組成式: | C18 H14 F2 N2 O2 | SMILES: | C[CH](N1C=C(C(=O)NC1=O)c2cc(F)cc(F)c2)c3ccccc3 | InChi: | InChI=1S/C18H14F2N2O2/c1-11(12-5-3-2-4-6-12)22-10-16(17(23)21-18(22)24)13-7-14(19)9-15(20)8-13/h2-11H,1H3,(H,21,23,24)/t11-/m0/s1 | 定義日: | 2023-04-26 | 最終更新日: | 2023-06-30 | 公開日: | 2023-07-05 | 識別子(ID): | 5-[3,5-bis(fluoranyl)phenyl]-1-[(1~{S})-1-phenylethyl]pyrimidine-2,4-dione |
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![USU USU](https://data.pdbj.org/pdbjplus/data/cc/svg/USU.svg) | USU | 表記: | (5S,6S,9aS)-N-[(4-fluorophenyl)methyl]-6-methyl-8-[(naphthalen-1-yl)methyl]-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide | 組成式: | C27 H27 F N4 O3 | SMILES: | Fc1ccc(cc1)CNC(=O)N1CCC(=O)N2C(C)C(=O)N(CC21)Cc1cccc2ccccc21 | InChi: | InChI=1S/C27H27FN4O3/c1-18-26(34)30(16-21-7-4-6-20-5-2-3-8-23(20)21)17-24-31(14-13-25(33)32(18)24)27(35)29-15-19-9-11-22(28)12-10-19/h2-12,18,24H,13-17H2,1H3,(H,29,35)/t18-,24+/m0/s1 | 定義日: | 2022-08-24 | 最終更新日: | 2023-06-30 | 公開日: | 2023-07-05 | 識別子(ID): | (5S,6S,9aS)-N-[(4-fluorophenyl)methyl]-6-methyl-8-[(naphthalen-1-yl)methyl]-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide |
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![W49 W49](https://data.pdbj.org/pdbjplus/data/cc/svg/W49.svg) | W49 | 表記: | 5-(3-ethynyl-5-fluoranyl-1H-indazol-7-yl)-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione | 組成式: | C21 H15 F N4 O2 | SMILES: | C[CH](N1C=C(C(=O)NC1=O)c2cc(F)cc3c(n[nH]c23)C#C)c4ccccc4 | InChi: | InChI=1S/C21H15FN4O2/c1-3-18-16-10-14(22)9-15(19(16)25-24-18)17-11-26(21(28)23-20(17)27)12(2)13-7-5-4-6-8-13/h1,4-12H,2H3,(H,24,25)(H,23,27,28)/t12-/m0/s1 | 定義日: | 2023-04-26 | 最終更新日: | 2023-06-30 | 公開日: | 2023-07-05 | 識別子(ID): | 5-(3-ethynyl-5-fluoranyl-1~{H}-indazol-7-yl)-1-[(1~{S})-1-phenylethyl]pyrimidine-2,4-dione |
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![U0R U0R](https://data.pdbj.org/pdbjplus/data/cc/svg/U0R.svg) | U0R | 表記: | 5-bromo-3-[(5-bromo-2-chlorophenyl)methoxy]pyridine-2-carbaldehyde | 組成式: | C13 H8 Br2 Cl N O2 | SMILES: | O=Cc1ncc(Br)cc1OCc1cc(Br)ccc1Cl | InChi: | InChI=1S/C13H8Br2ClNO2/c14-9-1-2-11(16)8(3-9)7-19-13-4-10(15)5-17-12(13)6-18/h1-6H,7H2 | 定義日: | 2022-08-01 | 最終更新日: | 2023-06-30 | 公開日: | 2023-07-05 | 識別子(ID): | 5-bromo-3-[(5-bromo-2-chlorophenyl)methoxy]pyridine-2-carbaldehyde |
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![UTC UTC](https://data.pdbj.org/pdbjplus/data/cc/svg/UTC.svg) | UTC | 表記: | (5R,6S,9aS)-N-benzyl-6-[(4-hydroxyphenyl)methyl]-8-[(naphthalen-1-yl)methyl]-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide | 組成式: | C33 H32 N4 O4 | SMILES: | Oc1ccc(cc1)CC1C(=O)N(CC2N1C(=O)CCN2C(=O)NCc1ccccc1)Cc1cccc2ccccc21 | InChi: | InChI=1S/C33H32N4O4/c38-27-15-13-23(14-16-27)19-29-32(40)35(21-26-11-6-10-25-9-4-5-12-28(25)26)22-30-36(18-17-31(39)37(29)30)33(41)34-20-24-7-2-1-3-8-24/h1-16,29-30,38H,17-22H2,(H,34,41)/t29-,30+/m0/s1 | 定義日: | 2022-08-25 | 最終更新日: | 2023-06-30 | 公開日: | 2023-07-05 | 識別子(ID): | (5R,6S,9aS)-N-benzyl-6-[(4-hydroxyphenyl)methyl]-8-[(naphthalen-1-yl)methyl]-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide |
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![X3K X3K](https://data.pdbj.org/pdbjplus/data/cc/svg/X3K.svg) | X3K | 表記: | N-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]prop-2-enamide | 組成式: | C16 H13 N3 O | SMILES: | C=CC(=O)Nc1cccc(c1)c2ccnc3[nH]ccc23 | InChi: | InChI=1S/C16H13N3O/c1-2-15(20)19-12-5-3-4-11(10-12)13-6-8-17-16-14(13)7-9-18-16/h2-10H,1H2,(H,17,18)(H,19,20) | 別名: | N-(3-(1h-pyrrolo[2,3-B]pyridin-4-yl)phenyl)acrylamide | 定義日: | 2023-05-31 | 最終更新日: | 2023-06-30 | 公開日: | 2023-07-05 | 識別子(ID): | ~{N}-[3-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)phenyl]prop-2-enamide |
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![YJ0 YJ0](https://data.pdbj.org/pdbjplus/data/cc/svg/YJ0.svg) | YJ0 | 表記: | (2R)-2-{[(4-O-hexopyranosyl-beta-D-glucopyranosyl)oxy]methyl}-4-{[(25R)-5beta,14beta,17beta-spirostan-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside | 組成式: | C56 H92 O25 | SMILES: | OC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(OC1CO)OCC(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)CCOC1CC2=CCC3C(CCC4(C)C5C(CC34)OC3(CCC(C)CO3)C5C)C2(C)CC1 | InChi: | InChI=1S/C56H92O25/c1-24-7-13-56(74-21-24)25(2)37-32(81-56)16-31-29-6-5-27-15-28(8-11-54(27,3)30(29)9-12-55(31,37)4)71-14-10-26(22-72-50-46(69)42(65)48(35(19-59)77-50)79-52-44(67)40(63)38(61)33(17-57)75-52)23-73-51-47(70)43(66)49(36(20-60)78-51)80-53-45(68)41(64)39(62)34(18-58)76-53/h5,24-26,28-53,57-70H,6-23H2,1-4H3/t24-,25+,26-,28+,29-,30+,31+,32+,33?,34-,35-,36-,37+,38?,39-,40?,41+,42-,43-,44?,45-,46-,47-,48-,49-,50-,51-,52?,53-,54+,55+,56-/m1/s1 | 定義日: | 2023-06-19 | 最終更新日: | 2023-06-30 | 公開日: | 2023-07-05 | 識別子(ID): | (2R)-2-{[(4-O-hexopyranosyl-beta-D-glucopyranosyl)oxy]methyl}-4-{[(25R)-14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside |
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![ZNT ZNT](https://data.pdbj.org/pdbjplus/data/cc/svg/ZNT.svg) | ZNT | 表記: | 2'3'-cUA | 組成式: | C19 H23 N7 O14 P2 | SMILES: | Nc1ncnc2c1ncn2C1OC2COP(=O)(O)OC3C(OC(COP(=O)(O)OC2C1O)C3O)N1C=CC(=O)NC1=O | InChi: | InChI=1S/C19H23N7O14P2/c20-15-10-16(22-5-21-15)26(6-23-10)17-12(29)13-8(38-17)4-36-42(33,34)40-14-11(28)7(3-35-41(31,32)39-13)37-18(14)25-2-1-9(27)24-19(25)30/h1-2,5-8,11-14,17-18,28-29H,3-4H2,(H,31,32)(H,33,34)(H2,20,21,22)(H,24,27,30)/t7-,8-,11-,12-,13-,14-,17-,18-/m1/s1 | 別名: | 1-[(2R,5R,7R,8R,10S,12aR,14R,15R,15aS,16R)-14-(6-amino-9H-purin-9-yl)-2,10,15,16-tetrahydroxy-2,10-dioxooctahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecin-7-yl]pyrimidine-2,4(1H,3H)-dione | 定義日: | 2023-03-17 | 最終更新日: | 2023-06-30 | 公開日: | 2023-07-05 | 識別子(ID): | 1-[(2R,5R,7R,8R,10S,12aR,14R,15R,15aS,16R)-14-(6-amino-9H-purin-9-yl)-2,10,15,16-tetrahydroxy-2,10-dioxooctahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecin-7-yl]pyrimidine-2,4(1H,3H)-dione |
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![X7N X7N](https://data.pdbj.org/pdbjplus/data/cc/svg/X7N.svg) | X7N | 表記: | 2-methyl-1-[3-(morpholin-4-yl)propyl]-5-phenyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide | 組成式: | C26 H28 F3 N3 O2 | SMILES: | FC(F)(F)c1cc(ccc1)NC(=O)c1cc(c2ccccc2)n(CCCN2CCOCC2)c1C | InChi: | InChI=1S/C26H28F3N3O2/c1-19-23(25(33)30-22-10-5-9-21(17-22)26(27,28)29)18-24(20-7-3-2-4-8-20)32(19)12-6-11-31-13-15-34-16-14-31/h2-5,7-10,17-18H,6,11-16H2,1H3,(H,30,33) | 定義日: | 2023-06-05 | 最終更新日: | 2023-06-30 | 公開日: | 2023-07-05 | 識別子(ID): | 2-methyl-1-[3-(morpholin-4-yl)propyl]-5-phenyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide |
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![X8O X8O](https://data.pdbj.org/pdbjplus/data/cc/svg/X8O.svg) | X8O | 表記: | ~{N}-(2-aminophenyl)-5-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)pyridine-2-carboxamide | 組成式: | C20 H17 N5 O2 | SMILES: | CN1C=C(c2ccc(nc2)C(=O)Nc3ccccc3N)c4cc[nH]c4C1=O | InChi: | InChI=1S/C20H17N5O2/c1-25-11-14(13-8-9-22-18(13)20(25)27)12-6-7-17(23-10-12)19(26)24-16-5-3-2-4-15(16)21/h2-11,22H,21H2,1H3,(H,24,26) | 定義日: | 2023-06-06 | 最終更新日: | 2023-06-30 | 公開日: | 2023-07-05 | 識別子(ID): | ~{N}-(2-aminophenyl)-5-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)pyridine-2-carboxamide |
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![X8T X8T](https://data.pdbj.org/pdbjplus/data/cc/svg/X8T.svg) | X8T | 表記: | ~{N}-(2-aminophenyl)-4-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)benzamide | 組成式: | C21 H18 N4 O2 | SMILES: | CN1C=C(c2ccc(cc2)C(=O)Nc3ccccc3N)c4cc[nH]c4C1=O | InChi: | InChI=1S/C21H18N4O2/c1-25-12-16(15-10-11-23-19(15)21(25)27)13-6-8-14(9-7-13)20(26)24-18-5-3-2-4-17(18)22/h2-12,23H,22H2,1H3,(H,24,26) | 定義日: | 2023-06-06 | 最終更新日: | 2023-06-30 | 公開日: | 2023-07-05 | 識別子(ID): | ~{N}-(2-aminophenyl)-4-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)benzamide |
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![X9C X9C](https://data.pdbj.org/pdbjplus/data/cc/svg/X9C.svg) | X9C | 表記: | ~{N}-(2-aminophenyl)-2-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)quinoline-6-carboxamide | 組成式: | C24 H19 N5 O2 | SMILES: | CN1C=C(c2ccc3cc(ccc3n2)C(=O)Nc4ccccc4N)c5cc[nH]c5C1=O | InChi: | InChI=1S/C24H19N5O2/c1-29-13-17(16-10-11-26-22(16)24(29)31)20-9-6-14-12-15(7-8-19(14)27-20)23(30)28-21-5-3-2-4-18(21)25/h2-13,26H,25H2,1H3,(H,28,30) | 定義日: | 2023-06-06 | 最終更新日: | 2023-06-30 | 公開日: | 2023-07-05 | 識別子(ID): | ~{N}-(2-aminophenyl)-2-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)quinoline-6-carboxamide |
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![X9K X9K](https://data.pdbj.org/pdbjplus/data/cc/svg/X9K.svg) | X9K | 表記: | ~{N}-(2-aminophenyl)-4-[(~{E})-(6-methyl-7-oxidanyl-1~{H}-indol-4-yl)diazenyl]benzamide | 組成式: | C22 H19 N5 O2 | SMILES: | Cc1cc(N=Nc2ccc(cc2)C(=O)Nc3ccccc3N)c4cc[nH]c4c1O | InChi: | InChI=1S/C22H19N5O2/c1-13-12-19(16-10-11-24-20(16)21(13)28)27-26-15-8-6-14(7-9-15)22(29)25-18-5-3-2-4-17(18)23/h2-12,24,28H,23H2,1H3,(H,25,29)/b27-26+ | 定義日: | 2023-06-06 | 最終更新日: | 2023-06-30 | 公開日: | 2023-07-05 | 識別子(ID): | ~{N}-(2-aminophenyl)-4-[(~{E})-(6-methyl-7-oxidanyl-1~{H}-indol-4-yl)diazenyl]benzamide |
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![X9O X9O](https://data.pdbj.org/pdbjplus/data/cc/svg/X9O.svg) | X9O | 表記: | ~{N}-(2-aminophenyl)-4-[2-(2-azanyl-5-methyl-4-oxidanyl-phenyl)hydrazinyl]benzamide | 組成式: | C20 H21 N5 O2 | SMILES: | Cc1cc(NNc2ccc(cc2)C(=O)Nc3ccccc3N)c(N)cc1O | InChi: | InChI=1S/C20H21N5O2/c1-12-10-18(16(22)11-19(12)26)25-24-14-8-6-13(7-9-14)20(27)23-17-5-3-2-4-15(17)21/h2-11,24-26H,21-22H2,1H3,(H,23,27) | 定義日: | 2023-06-06 | 最終更新日: | 2023-06-30 | 公開日: | 2023-07-05 | 識別子(ID): | ~{N}-(2-aminophenyl)-4-[2-(2-azanyl-5-methyl-4-oxidanyl-phenyl)hydrazinyl]benzamide |
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![X9U X9U](https://data.pdbj.org/pdbjplus/data/cc/svg/X9U.svg) | X9U | 表記: | ~{N}-(2-azanyl-5-phenyl-phenyl)-4-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)benzamide | 組成式: | C27 H22 N4 O2 | SMILES: | CN1C=C(c2ccc(cc2)C(=O)Nc3cc(ccc3N)c4ccccc4)c5cc[nH]c5C1=O | InChi: | InChI=1S/C27H22N4O2/c1-31-16-22(21-13-14-29-25(21)27(31)33)18-7-9-19(10-8-18)26(32)30-24-15-20(11-12-23(24)28)17-5-3-2-4-6-17/h2-16,29H,28H2,1H3,(H,30,32) | 定義日: | 2023-06-06 | 最終更新日: | 2023-06-30 | 公開日: | 2023-07-05 | 識別子(ID): | ~{N}-(2-azanyl-5-phenyl-phenyl)-4-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)benzamide |
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![XA3 XA3](https://data.pdbj.org/pdbjplus/data/cc/svg/XA3.svg) | XA3 | 表記: | ~{N}-(2-azanyl-5-phenyl-phenyl)-5-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)pyridine-2-carboxamide | 組成式: | C26 H21 N5 O2 | SMILES: | CN1C=C(c2ccc(nc2)C(=O)Nc3cc(ccc3N)c4ccccc4)c5cc[nH]c5C1=O | InChi: | InChI=1S/C26H21N5O2/c1-31-15-20(19-11-12-28-24(19)26(31)33)18-8-10-22(29-14-18)25(32)30-23-13-17(7-9-21(23)27)16-5-3-2-4-6-16/h2-15,28H,27H2,1H3,(H,30,32) | 定義日: | 2023-06-06 | 最終更新日: | 2023-06-30 | 公開日: | 2023-07-05 | 識別子(ID): | ~{N}-(2-azanyl-5-phenyl-phenyl)-5-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)pyridine-2-carboxamide |
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![ZAI ZAI](https://data.pdbj.org/pdbjplus/data/cc/svg/ZAI.svg) | ZAI | 表記: | (2~{S})-2-azanyl-6-[[(~{R})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-[[(2~{S})-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]methyl]amino]hexanoic acid | 組成式: | C17 H29 N4 O9 P S | SMILES: | Cc1ncc(CO[P](O)(O)=O)c([CH](NCCCC[CH](N)C(O)=O)N[CH](CS)C(O)=O)c1O | InChi: | InChI=1S/C17H29N4O9PS/c1-9-14(22)13(10(6-20-9)7-30-31(27,28)29)15(21-12(8-32)17(25)26)19-5-3-2-4-11(18)16(23)24/h6,11-12,15,19,21-22,32H,2-5,7-8,18H2,1H3,(H,23,24)(H,25,26)(H2,27,28,29)/t11-,12+,15+/m0/s1 | 定義日: | 2022-07-05 | 最終更新日: | 2023-06-30 | 公開日: | 2023-07-05 | 識別子(ID): | (2~{S})-2-azanyl-6-[[(~{R})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-[[(2~{S})-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]methyl]amino]hexanoic acid |
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