![EM0 EM0](https://data.pdbj.org/pdbjplus/data/cc/svg/EM0.svg) | EM0 | 表記: | 4-fluoro-3-methyl-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzene-1-sulfonamide | 組成式: | C16 H16 F N3 O3 S | SMILES: | Cc1cc(ccc1F)S(=O)(=O)Nc1ccc2NC(=O)N(C)Cc2c1 | InChi: | InChI=1S/C16H16FN3O3S/c1-10-7-13(4-5-14(10)17)24(22,23)19-12-3-6-15-11(8-12)9-20(2)16(21)18-15/h3-8,19H,9H2,1-2H3,(H,18,21) | 定義日: | 2021-12-08 | 最終更新日: | 2022-08-26 | 公開日: | 2022-08-31 | 識別子(ID): | 4-fluoro-3-methyl-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzene-1-sulfonamide |
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![ERL ERL](https://data.pdbj.org/pdbjplus/data/cc/svg/ERL.svg) | ERL | 表記: | (1S,2S)-2-azanyl-1-oxidanyl-hexane-1-sulfonic acid | 組成式: | C6 H15 N O4 S | SMILES: | CCCC[CH](N)[CH](O)[S](O)(=O)=O | InChi: | InChI=1S/C6H15NO4S/c1-2-3-4-5(7)6(8)12(9,10)11/h5-6,8H,2-4,7H2,1H3,(H,9,10,11)/t5-,6-/m0/s1 | 別名: | (2R)-2-acetamido-3-sulfanyl-propanoic acid | 定義日: | 2022-01-12 | 最終更新日: | 2022-08-26 | 公開日: | 2022-08-31 | 識別子(ID): | (1~{R},2~{S})-2-azanyl-1-oxidanyl-hexane-1-sulfonic acid |
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![80E 80E](https://data.pdbj.org/pdbjplus/data/cc/svg/80E.svg) | 80E | 表記: | 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(methoxycarbonyl)benzoic acid | 組成式: | C19 H18 N2 O4 | SMILES: | O=C(OC)c1ccc(NCCc2c[NH]c3ccccc32)c(c1)C(=O)O | InChi: | InChI=1S/C19H18N2O4/c1-25-19(24)12-6-7-17(15(10-12)18(22)23)20-9-8-13-11-21-16-5-3-2-4-14(13)16/h2-7,10-11,20-21H,8-9H2,1H3,(H,22,23) | 定義日: | 2021-08-24 | 最終更新日: | 2022-08-26 | 公開日: | 2022-08-31 | 識別子(ID): | 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(methoxycarbonyl)benzoic acid |
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![KRF KRF](https://data.pdbj.org/pdbjplus/data/cc/svg/KRF.svg) | KRF | 表記: | N-[(1R,3R)-3-(4-acetylpiperazin-1-yl)cyclohexyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide | 組成式: | C22 H29 F N4 O2 | SMILES: | Fc1ccc(C)c2[NH]c(cc12)C(=O)NC1CC(CCC1)N1CCN(CC1)C(C)=O | InChi: | InChI=1S/C22H29FN4O2/c1-14-6-7-19(23)18-13-20(25-21(14)18)22(29)24-16-4-3-5-17(12-16)27-10-8-26(9-11-27)15(2)28/h6-7,13,16-17,25H,3-5,8-12H2,1-2H3,(H,24,29)/t16-,17-/m1/s1 | 定義日: | 2022-02-14 | 最終更新日: | 2022-08-26 | 公開日: | 2022-08-31 | 識別子(ID): | N-[(1R,3R)-3-(4-acetylpiperazin-1-yl)cyclohexyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide |
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![KS6 KS6](https://data.pdbj.org/pdbjplus/data/cc/svg/KS6.svg) | KS6 | 表記: | N-[(1R,3S)-3-(4-acetylpiperazin-1-yl)cyclohexyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide | 組成式: | C22 H29 F N4 O2 | SMILES: | Fc1ccc(C)c2[NH]c(cc12)C(=O)NC1CC(CCC1)N1CCN(CC1)C(C)=O | InChi: | InChI=1S/C22H29FN4O2/c1-14-6-7-19(23)18-13-20(25-21(14)18)22(29)24-16-4-3-5-17(12-16)27-10-8-26(9-11-27)15(2)28/h6-7,13,16-17,25H,3-5,8-12H2,1-2H3,(H,24,29)/t16-,17+/m1/s1 | 定義日: | 2022-02-14 | 最終更新日: | 2022-08-26 | 公開日: | 2022-08-31 | 識別子(ID): | N-[(1R,3S)-3-(4-acetylpiperazin-1-yl)cyclohexyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide |
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![KY6 KY6](https://data.pdbj.org/pdbjplus/data/cc/svg/KY6.svg) | KY6 | 表記: | 4-[(Z)-1-cyano-2-{6-[(2-hydroxyethyl)(methyl)amino]-1-benzothiophen-2-yl}ethenyl]benzonitrile | 組成式: | C21 H17 N3 O S | SMILES: | OCCN(C)c1ccc2cc(C=C(/C#N)c3ccc(C#N)cc3)sc2c1 | InChi: | InChI=1S/C21H17N3OS/c1-24(8-9-25)19-7-6-17-10-20(26-21(17)12-19)11-18(14-23)16-4-2-15(13-22)3-5-16/h2-7,10-12,25H,8-9H2,1H3/b18-11+ | 定義日: | 2022-02-21 | 最終更新日: | 2022-08-26 | 公開日: | 2022-08-31 | 識別子(ID): | 4-[(Z)-1-cyano-2-{6-[(2-hydroxyethyl)(methyl)amino]-1-benzothiophen-2-yl}ethenyl]benzonitrile |
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![1T0 1T0](https://data.pdbj.org/pdbjplus/data/cc/svg/1T0.svg) | 1T0 | 表記: | 4-[(3R)-3-cyano-3-(1-methylcyclopropyl)-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide | 組成式: | C27 H27 F N6 O2 | SMILES: | Cn1cc(cn1)c2cc(F)cc(CNC(=O)c3cc(cc(C)n3)N4CC[C](C#N)(C4=O)C5(C)CC5)c2 | InChi: | InChI=1S/C27H27FN6O2/c1-17-8-22(34-7-6-27(16-29,25(34)36)26(2)4-5-26)12-23(32-17)24(35)30-13-18-9-19(11-21(28)10-18)20-14-31-33(3)15-20/h8-12,14-15H,4-7,13H2,1-3H3,(H,30,35)/t27-/m1/s1 | 定義日: | 2021-07-08 | 最終更新日: | 2022-08-26 | 公開日: | 2022-08-31 | 識別子(ID): | 4-[(3~{R})-3-cyano-3-(1-methylcyclopropyl)-2-oxidanylidene-pyrrolidin-1-yl]-~{N}-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide |
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![7IS 7IS](https://data.pdbj.org/pdbjplus/data/cc/svg/7IS.svg) | 7IS | 表記: | N-[4-[(6-chloranylpyridazin-3-yl)amino]phenyl]-3-(trifluoromethyl)benzamide | 組成式: | C18 H12 Cl F3 N4 O | SMILES: | FC(F)(F)c1cccc(c1)C(=O)Nc2ccc(Nc3ccc(Cl)nn3)cc2 | InChi: | InChI=1S/C18H12ClF3N4O/c19-15-8-9-16(26-25-15)23-13-4-6-14(7-5-13)24-17(27)11-2-1-3-12(10-11)18(20,21)22/h1-10H,(H,23,26)(H,24,27) | 定義日: | 2021-10-06 | 最終更新日: | 2022-08-26 | 公開日: | 2022-08-31 | 識別子(ID): | ~{N}-[4-[(6-chloranylpyridazin-3-yl)amino]phenyl]-3-(trifluoromethyl)benzamide |
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![OWR OWR](https://data.pdbj.org/pdbjplus/data/cc/svg/OWR.svg) | OWR | 表記: | 1-[2-deoxy-5-O-(dihydroxyphosphanyl)-beta-D-erythro-pentofuranosyl]-1H-naphtho[2,3-d]imidazole | 組成式: | C16 H17 N2 O6 P | SMILES: | O=P(O)(O)OCC1OC(CC1O)n1cnc2cc3ccccc3cc21 | InChi: | InChI=1S/C16H17N2O6P/c19-14-7-16(24-15(14)8-23-25(20,21)22)18-9-17-12-5-10-3-1-2-4-11(10)6-13(12)18/h1-6,9,14-16,19H,7-8H2,(H2,20,21,22)/t14-,15+,16+/m0/s1 | 定義日: | 2022-05-18 | 最終更新日: | 2022-08-26 | 公開日: | 2022-08-31 | 識別子(ID): | 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1H-naphtho[2,3-d]imidazole |
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![M1I M1I](https://data.pdbj.org/pdbjplus/data/cc/svg/M1I.svg) | M1I | 表記: | 5-[3-methoxy-4-[1-(4-methylpiperazin-1-yl)cyclopropyl]phenyl]-1,3,4-trimethyl-pyridin-2-one | 組成式: | C23 H31 N3 O2 | SMILES: | COc1cc(ccc1C2(CC2)N3CCN(C)CC3)C4=CN(C)C(=O)C(=C4C)C | InChi: | InChI=1S/C23H31N3O2/c1-16-17(2)22(27)25(4)15-19(16)18-6-7-20(21(14-18)28-5)23(8-9-23)26-12-10-24(3)11-13-26/h6-7,14-15H,8-13H2,1-5H3 | 定義日: | 2022-07-20 | 最終更新日: | 2022-08-26 | 公開日: | 2022-08-31 | 識別子(ID): | 5-[3-methoxy-4-[1-(4-methylpiperazin-1-yl)cyclopropyl]phenyl]-1,3,4-trimethyl-pyridin-2-one |
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![LJX LJX](https://data.pdbj.org/pdbjplus/data/cc/svg/LJX.svg) | LJX | 表記: | (2R,3R,4R)-2-[(8P)-6-amino-2-(hex-1-yn-1-yl)-8-(thiophen-2-yl)-9H-purin-9-yl]oxolane-3,4-diol | 組成式: | C19 H21 N5 O3 S | SMILES: | OC1C(O)COC1n1c2nc(C#CCCCC)nc(N)c2nc1c1cccs1 | InChi: | InChI=1S/C19H21N5O3S/c1-2-3-4-5-8-13-21-16(20)14-18(22-13)24(19-15(26)11(25)10-27-19)17(23-14)12-7-6-9-28-12/h6-7,9,11,15,19,25-26H,2-4,10H2,1H3,(H2,20,21,22)/t11-,15-,19-/m1/s1 | 定義日: | 2022-05-17 | 最終更新日: | 2022-08-26 | 公開日: | 2022-08-31 | 識別子(ID): | (2R,3R,4R)-2-[(8P)-6-amino-2-(hex-1-yn-1-yl)-8-(thiophen-2-yl)-9H-purin-9-yl]oxolane-3,4-diol |
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![TSW TSW](https://data.pdbj.org/pdbjplus/data/cc/svg/TSW.svg) | TSW | 表記: | 2-[4-oxidanylidene-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-~{N}-(1,3-thiazol-2-yl)ethanamide | 組成式: | C19 H16 N6 O2 S2 | SMILES: | O=C(CSC1=Nc2nccnc2C(=O)N1CCc3ccccc3)Nc4sccn4 | InChi: | InChI=1S/C19H16N6O2S2/c26-14(23-18-22-9-11-28-18)12-29-19-24-16-15(20-7-8-21-16)17(27)25(19)10-6-13-4-2-1-3-5-13/h1-5,7-9,11H,6,10,12H2,(H,22,23,26) | 定義日: | 2021-01-13 | 最終更新日: | 2022-08-26 | 公開日: | 2022-08-31 | 識別子(ID): | 2-[4-oxidanylidene-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-~{N}-(1,3-thiazol-2-yl)ethanamide |
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![SUU SUU](https://data.pdbj.org/pdbjplus/data/cc/svg/SUU.svg) | SUU | 表記: | (E)-3-(3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)-2-cyanoacrylamide bound form | 組成式: | C16 H13 N5 O | SMILES: | NC(=O)C(C#N)Cc1cccc(c1)c1ncnc2[NH]ccc12 | InChi: | InChI=1S/C16H13N5O/c17-8-12(15(18)22)7-10-2-1-3-11(6-10)14-13-4-5-19-16(13)21-9-20-14/h1-6,9,12H,7H2,(H2,18,22)(H,19,20,21)/t12-/m0/s1 | 定義日: | 2022-07-11 | 最終更新日: | 2022-08-26 | 公開日: | 2022-08-31 | 識別子(ID): | (2S)-2-cyano-3-[(3M)-3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]propanamide |
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![NW6 NW6](https://data.pdbj.org/pdbjplus/data/cc/svg/NW6.svg) | NW6 | 表記: | nocodazole | 組成式: | C14 H11 N3 O3 S | SMILES: | COC(=O)Nc1[nH]c2ccc(cc2n1)C(=O)c3sccc3 | InChi: | InChI=1S/C14H11N3O3S/c1-20-14(19)17-13-15-9-5-4-8(7-10(9)16-13)12(18)11-3-2-6-21-11/h2-7H,1H3,(H2,15,16,17,19) | 定義日: | 2022-08-24 | 最終更新日: | 2022-08-26 | 公開日: | 2022-08-31 | 識別子(ID): | methyl ~{N}-(5-thiophen-2-ylcarbonyl-1~{H}-benzimidazol-2-yl)carbamate |
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![O39 O39](https://data.pdbj.org/pdbjplus/data/cc/svg/O39.svg) | O39 | 表記: | (N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-{[(pyridin-3-yl)methyl]sulfanyl}propanamide)bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium | 組成式: | C50 H40 Ir N6 O S | SMILES: | O=C(NCc1ccc2c3ccccn3[Ir]34(c5ccccc5c5ccc6ccccc6n53)(c3ccccc3c3ccc5ccccc5n34)n2c1)CCSCc1cccnc1 | InChi: | InChI=1S/C20H20N4OS.2C15H10N.Ir/c25-20(8-11-26-15-17-4-3-9-21-12-17)24-14-16-6-7-19(23-13-16)18-5-1-2-10-22-18 | 定義日: | 2022-04-20 | 最終更新日: | 2022-08-26 | 公開日: | 2022-08-31 | 識別子(ID): | (N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-{[(pyridin-3-yl)methyl]sulfanyl}propanamide)bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium |
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![O3L O3L](https://data.pdbj.org/pdbjplus/data/cc/svg/O3L.svg) | O3L | 表記: | (N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-{[(pyridin-3-yl)methyl]sulfanyl}propanamide)bis[2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~]iridium | 組成式: | C42 H36 Ir N6 O S | SMILES: | O=C(NCc1ccc2c3ccccn3[Ir]34(c5ccccc5c5ccccn53)(c3ccccc3c3ccccn34)n2c1)CCSCc1cccnc1 | InChi: | InChI=1S/C20H20N4OS.2C11H8N.Ir/c25-20(8-11-26-15-17-4-3-9-21-12-17)24-14-16-6-7-19(23-13-16)18-5-1-2-10-22-18 | 定義日: | 2022-04-20 | 最終更新日: | 2022-08-26 | 公開日: | 2022-08-31 | 識別子(ID): | (N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-{[(pyridin-3-yl)methyl]sulfanyl}propanamide)bis[2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~]iridium |
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![P7U P7U](https://data.pdbj.org/pdbjplus/data/cc/svg/P7U.svg) | P7U | 表記: | {(2S)-4-[(7P)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4R,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-1-[(3S)-2,2,3-trihydroxybutanoyl]piperazin-2-yl}acetonitrile | 組成式: | C35 H37 Cl F N7 O5 | SMILES: | CC(O)C(O)(O)C(=O)N1CCN(CC1CC#N)c1nc(nc2c(F)c(ncc21)c1cccc2cccc(Cl)c21)OCC12CCCN2CCC1 | InChi: | InChI=1S/C35H37ClFN7O5/c1-21(45)35(47,48)32(46)44-17-16-42(19-23(44)10-13-38)31-25-18-39-29(24-8-2-6-22-7-3-9-26(36)27(22)24)28(37)30(25)40-33(41-31)49-20-34-11-4-14-43(34)15-5-12-34/h2-3,6-9,18,21,23,45,47-48H,4-5,10-12,14-17,19-20H2,1H3/t21-,23-/m0/s1 | 定義日: | 2022-05-25 | 最終更新日: | 2022-08-26 | 公開日: | 2022-08-31 | 識別子(ID): | {(2S)-4-[(7P)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4R,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-1-[(3S)-2,2,3-trihydroxybutanoyl]piperazin-2-yl}acetonitrile |
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![USB USB](https://data.pdbj.org/pdbjplus/data/cc/svg/USB.svg) | USB | 表記: | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2~{S})-2-azanyl-4-methyl-pentanoate | 組成式: | C16 H25 N6 O8 P | SMILES: | CC(C)C[CH](N)C(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23 | InChi: | InChI=1S/C16H25N6O8P/c1-7(2)3-8(17)16(25)30-31(26,27)28-4-9-11(23)12(24)15(29-9)22-6-21-10-13(18)19-5-20-14(10)22/h5-9,11-12,15,23-24H,3-4,17H2,1-2H3,(H,26,27)(H2,18,19,20)/t8-,9+,11+,12+,15+/m0/s1 | 定義日: | 2021-03-11 | 最終更新日: | 2022-08-26 | 公開日: | 2022-08-31 | 識別子(ID): | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2~{S})-2-azanyl-4-methyl-pentanoate |
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![IKC IKC](https://data.pdbj.org/pdbjplus/data/cc/svg/IKC.svg) | IKC | 表記: | ~{N}-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-2-[4-oxidanylidene-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-ethanamide | 組成式: | C25 H20 N6 O3 S2 | SMILES: | Oc1cccc(c1)c2csc(NC(=O)CSC3=Nc4nccnc4C(=O)N3CCc5ccccc5)n2 | InChi: | InChI=1S/C25H20N6O3S2/c32-18-8-4-7-17(13-18)19-14-35-24(28-19)29-20(33)15-36-25-30-22-21(26-10-11-27-22)23(34)31(25)12-9-16-5-2-1-3-6-16/h1-8,10-11,13-14,32H,9,12,15H2,(H,28,29,33) | 定義日: | 2022-03-28 | 最終更新日: | 2022-08-26 | 公開日: | 2022-08-31 | 識別子(ID): | ~{N}-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-2-[4-oxidanylidene-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-ethanamide |
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![7TE 7TE](https://data.pdbj.org/pdbjplus/data/cc/svg/7TE.svg) | 7TE | 表記: | (S)-({[(3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}methyl)phosphinic acid | 組成式: | C10 H14 N5 O6 P | SMILES: | O=P(O)(O)COC1COC(n2cnc3c(N)ncnc32)C1O | InChi: | InChI=1S/C10H14N5O6P/c11-8-6-9(13-2-12-8)15(3-14-6)10-7(16)5(1-20-10)21-4-22(17,18)19/h2-3,5,7,10,16H,1,4H2,(H2,11,12,13)(H2,17,18,19)/t5-,7+,10+/m0/s1 | 定義日: | 2021-08-19 | 最終更新日: | 2022-08-24 | 公開日: | 2022-08-24 | 識別子(ID): | ({[(3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}methyl)phosphonic acid |
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![5Z8 5Z8](https://data.pdbj.org/pdbjplus/data/cc/svg/5Z8.svg) | 5Z8 | 表記: | 4-chloro-7-nitrobenzofurazan | 組成式: | C6 H2 Cl N3 O3 | SMILES: | [O-][N+](=O)c1ccc(Cl)c2nonc12 | InChi: | InChI=1S/C6H2ClN3O3/c7-3-1-2-4(10(11)12)6-5(3)8-13-9-6/h1-2H | 別名: | 4-chloranyl-7-nitro-2,1,3-benzoxadiazole | 定義日: | 2021-07-20 | 最終更新日: | 2022-08-23 | 公開日: | 2021-08-18 | 識別子(ID): | 4-chloranyl-7-nitro-2,1,3-benzoxadiazole |
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![G41 G41](https://data.pdbj.org/pdbjplus/data/cc/svg/G41.svg) | G41 | 表記: | (2~{S})-~{N}-[(1~{S})-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-2-carboxamide | 組成式: | C27 H28 N6 O | SMILES: | C[CH](NC(=O)[CH]1CCCCN1)c2ccc(Nc3ncc4cc(ccc4n3)c5ccncc5)cc2 | InChi: | InChI=1S/C27H28N6O/c1-18(31-26(34)25-4-2-3-13-29-25)19-5-8-23(9-6-19)32-27-30-17-22-16-21(7-10-24(22)33-27)20-11-14-28-15-12-20/h5-12,14-18,25,29H,2-4,13H2,1H3,(H,31,34)(H,30,32,33)/t18-,25-/m0/s1 | 定義日: | 2022-01-27 | 最終更新日: | 2022-08-22 | 公開日: | 2022-05-04 | 識別子(ID): | (2~{S})-~{N}-[(1~{S})-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-2-carboxamide |
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![GE9 GE9](https://data.pdbj.org/pdbjplus/data/cc/svg/GE9.svg) | GE9 | 表記: | 2,3,5-tris(iodanyl)benzamide | 組成式: | C7 H4 I3 N O | SMILES: | NC(=O)c1cc(I)cc(I)c1I | InChi: | InChI=1S/C7H4I3NO/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H2,11,12) | 定義日: | 2022-01-31 | 最終更新日: | 2022-08-22 | 公開日: | 2022-06-01 | 識別子(ID): | 2,3,5-tris(iodanyl)benzamide |
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![L1J L1J](https://data.pdbj.org/pdbjplus/data/cc/svg/L1J.svg) | L1J | 表記: | 2-azanyl-9-[(2~{R},4~{S},5~{R})-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-1~{H}-purin-6-one | 組成式: | C10 H13 N5 O4 | SMILES: | NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO)O3 | InChi: | InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1 | 定義日: | 2022-06-09 | 最終更新日: | 2022-08-22 | 公開日: | 2022-06-15 | 識別子(ID): | 2-azanyl-9-[(2~{R},4~{S},5~{R})-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-1~{H}-purin-6-one |
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![L4L L4L](https://data.pdbj.org/pdbjplus/data/cc/svg/L4L.svg) | L4L | 表記: | [(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S})-2-acetamido-3-oxidanylidene-pent-4-enoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl] hydrogen sulfate | 組成式: | C13 H21 N O11 S | SMILES: | CC(=O)N[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O[S](O)(=O)=O)[CH]1O)C(=O)C=C | InChi: | InChI=1S/C13H21NO11S/c1-3-8(17)7(14-6(2)16)5-23-13-11(19)12(25-26(20,21)22)10(18)9(4-15)24-13/h3,7,9-13,15,18-19H,1,4-5H2,2H3,(H,14,16)(H,20,21,22)/t7-,9+,10-,11+,12-,13+/m0/s1 | 定義日: | 2022-06-15 | 最終更新日: | 2022-08-22 | 公開日: | 2022-07-20 | 識別子(ID): | [(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S})-2-acetamido-3-oxidanylidene-pent-4-enoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl] hydrogen sulfate |
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