![8RU 8RU](https://data.pdbj.org/pdbjplus/data/cc/svg/8RU.svg) | 8RU | 表記: | 4-ethylbenzene-1,2-diol | 組成式: | C8 H10 O2 | SMILES: | CCc1ccc(O)c(O)c1 | InChi: | InChI=1S/C8H10O2/c1-2-6-3-4-7(9)8(10)5-6/h3-5,9-10H,2H2,1H3 | 定義日: | 2021-10-28 | 最終更新日: | 2022-08-22 | 公開日: | 2022-04-06 | 識別子(ID): | 4-ethylbenzene-1,2-diol |
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![8SC 8SC](https://data.pdbj.org/pdbjplus/data/cc/svg/8SC.svg) | 8SC | 表記: | 3'3'-c-(2'F,2'dA-isonucA)MP | 組成式: | C20 H23 F N10 O10 P2 | SMILES: | Nc1ncnc2n(cnc12)[CH]3CO[CH]4CO[P](O)(=O)O[CH]5[CH](F)[CH](O[CH]5CO[P](O)(=O)O[CH]34)n6cnc7c(N)ncnc67 | InChi: | InChI=1S/C20H23FN10O10P2/c21-11-15-10(39-20(11)31-7-29-13-17(23)25-5-27-19(13)31)3-38-42(32,33)40-14-8(1-36-9(14)2-37-43(34,35)41-15)30-6-28-12-16(22)24-4-26-18(12)30/h4-11,14-15,20H,1-3H2,(H,32,33)(H,34,35)(H2,22,24,26)(H2,23,25,27)/t8-,9-,10-,11-,14+,15-,20-/m1/s1 | 別名: | 9-[(1R,6R,9R,10S,15R,17R,18R)-17-(6-aminopurin-9-yl)-18-fluoranyl-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-9-yl]purin-6-amine | 定義日: | 2021-10-29 | 最終更新日: | 2022-08-22 | 公開日: | 2022-06-15 | 識別子(ID): | 9-[(1~{R},6~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-17-(6-aminopurin-9-yl)-18-fluoranyl-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-9-yl]purin-6-amine |
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![AIW AIW](https://data.pdbj.org/pdbjplus/data/cc/svg/AIW.svg) | AIW | 表記: | phenylmethaneselenol | 組成式: | C7 H8 Se | SMILES: | [SeH]Cc1ccccc1 | InChi: | InChI=1S/C7H8Se/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2 | 定義日: | 2021-11-26 | 最終更新日: | 2022-08-22 | 公開日: | 2022-03-16 | 識別子(ID): | phenylmethaneselenol |
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![AJ9 AJ9](https://data.pdbj.org/pdbjplus/data/cc/svg/AJ9.svg) | AJ9 | 表記: | 3,4-dimethyl-7-[[1-(phenylmethyl)piperidin-4-yl]methoxy]chromen-2-one | 組成式: | C24 H27 N O3 | SMILES: | CC1=C(C)c2ccc(OCC3CCN(CC3)Cc4ccccc4)cc2OC1=O | InChi: | InChI=1S/C24H27NO3/c1-17-18(2)24(26)28-23-14-21(8-9-22(17)23)27-16-20-10-12-25(13-11-20)15-19-6-4-3-5-7-19/h3-9,14,20H,10-13,15-16H2,1-2H3 | 別名: | 7-[(1-benzylpiperidin-3-yl)methoxy]-3,4-dimethyl-2H-chromen-2-one | 定義日: | 2021-11-29 | 最終更新日: | 2022-08-22 | 公開日: | 2022-04-06 | 識別子(ID): | 3,4-dimethyl-7-[[1-(phenylmethyl)piperidin-4-yl]methoxy]chromen-2-one |
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![AJT AJT](https://data.pdbj.org/pdbjplus/data/cc/svg/AJT.svg) | AJT | 表記: | ~{N}-(2,3-dihydro-1~{H}-inden-2-yl)-3-[[4-[[(2~{S})-pyrrolidin-2-yl]carbonylamino]piperidin-1-yl]carbonylamino]pyrazine-2-carboxamide | 組成式: | C25 H31 N7 O3 | SMILES: | O=C(NC1CCN(CC1)C(=O)Nc2nccnc2C(=O)NC3Cc4ccccc4C3)[CH]5CCCN5 | InChi: | InChI=1S/C25H31N7O3/c33-23(20-6-3-9-26-20)29-18-7-12-32(13-8-18)25(35)31-22-21(27-10-11-28-22)24(34)30-19-14-16-4-1-2-5-17(16)15-19/h1-2,4-5,10-11,18-20,26H,3,6-9,12-15H2,(H,29,33)(H,30,34)(H,28,31,35)/t20-/m0/s1 | 定義日: | 2021-11-30 | 最終更新日: | 2022-08-22 | 公開日: | 2022-05-04 | 識別子(ID): | ~{N}-(2,3-dihydro-1~{H}-inden-2-yl)-3-[[4-[[(2~{S})-pyrrolidin-2-yl]carbonylamino]piperidin-1-yl]carbonylamino]pyrazine-2-carboxamide |
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![JQ6 JQ6](https://data.pdbj.org/pdbjplus/data/cc/svg/JQ6.svg) | JQ6 | 表記: | [(2~{S})-2-acetyloxy-3-[[(2~{S})-3-[(2~{R},3~{S},4~{S},5~{S},6~{S})-6-(hydroxymethyl)-3-(octadecanoylamino)-4,5-bis(oxidanyl)oxan-2-yl]oxy-1-oxidanylidene-1-(pentylamino)propan-2-yl]oxy-oxidanyl-phosphoryl]oxy-propyl] ethanoate | 組成式: | C39 H73 N2 O15 P | SMILES: | CCCCCCCCCCCCCCCCCC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1OC[CH](O[P](O)(=O)OC[CH](COC(C)=O)OC(C)=O)C(=O)NCCCCC | InChi: | InChI=1S/C39H73N2O15P/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-34(45)41-35-37(47)36(46)32(25-42)55-39(35)52-28-33(38(48)40-24-22-8-6-2)56-57(49,50)53-27-31(54-30(4)44)26-51-29(3)43/h31-33,35-37,39,42,46-47H,5-28H2,1-4H3,(H,40,48)(H,41,45)(H,49,50)/t31-,32-,33-,35-,36+,37-,39+/m0/s1 | 定義日: | 2022-05-06 | 最終更新日: | 2022-08-22 | 公開日: | 2022-07-13 | 識別子(ID): | [(2~{S})-2-acetyloxy-3-[[(2~{S})-3-[(2~{R},3~{S},4~{S},5~{S},6~{S})-6-(hydroxymethyl)-3-(octadecanoylamino)-4,5-bis(oxidanyl)oxan-2-yl]oxy-1-oxidanylidene-1-(pentylamino)propan-2-yl]oxy-oxidanyl-phosphoryl]oxy-propyl] ethanoate |
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![JQI JQI](https://data.pdbj.org/pdbjplus/data/cc/svg/JQI.svg) | JQI | 表記: | [(1R)-1-[[(2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[2-[3-(4-carbamimidamido-3-oxidanylidene-pentyl)phenyl]ethanoylamino]hexanoyl]amino]hexanoyl]amino]-3-methyl-butyl]boronic acid | 組成式: | C31 H55 B N8 O6 | SMILES: | CC(C)C[CH](NC(=O)[CH](CCCCN)NC(=O)[CH](CCCCN)NC(=O)Cc1cccc(CCC(=O)C(C)NC(N)=N)c1)B(O)O | InChi: | InChI=1S/C31H55BN8O6/c1-20(2)17-27(32(45)46)40-30(44)25(12-5-7-16-34)39-29(43)24(11-4-6-15-33)38-28(42)19-23-10-8-9-22(18-23)13-14-26(41)21(3)37-31(35)36/h8-10,18,20-21,24-25,27,45-46H,4-7,11-17,19,33-34H2,1-3H3,(H,38,42)(H,39,43)(H,40,44)(H4,35,36,37)/t21?,24-,25-,27-/m0/s1 | 別名: | (2R,3S,4R,5R,6R)-6-((1R,2R,3S,4R,6S)-4,6-DIAMINO-2,3-DIHYDROXYCYCLOHEXYLOXY)-5-AMINO-2-(AMINOMETHYL)-TETRAHYDRO-2H-PYRA
N-3,4-DIOL | 定義日: | 2022-05-06 | 最終更新日: | 2022-08-22 | 公開日: | 2022-06-22 | 識別子(ID): | [(1~{R})-1-[[(2~{S})-6-azanyl-2-[[(2~{S})-6-azanyl-2-[2-[3-(4-carbamimidamido-3-oxidanylidene-pentyl)phenyl]ethanoylamino]hexanoyl]amino]hexanoyl]amino]-3-methyl-butyl]boronic acid |
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![JRF JRF](https://data.pdbj.org/pdbjplus/data/cc/svg/JRF.svg) | JRF | 表記: | 1-Hydroxy-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile | 組成式: | C13 H6 F3 N3 O | SMILES: | Oc1cc(c(C#N)c2nc3ccccc3n12)C(F)(F)F | InChi: | InChI=1S/C13H6F3N3O/c14-13(15,16)8-5-11(20)19-10-4-2-1-3-9(10)18-12(19)7(8)6-17/h1-5,20H | 別名: | 1-Hydroxy-3-trifluoromethyl-benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile | 定義日: | 2022-05-09 | 最終更新日: | 2022-08-22 | 公開日: | 2022-05-25 | 識別子(ID): | 1-oxidanyl-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile |
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![I1G I1G](https://data.pdbj.org/pdbjplus/data/cc/svg/I1G.svg) | I1G | 表記: | 3-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]propanoate | 組成式: | C31 H38 Cl2 N7 O4 | SMILES: | CC(=O)NCC1CC[NH+](CC1)Cc2cc(Oc3cnc(nc3)N4CC[NH+](CC4)CCC([O-])=O)nc(c2)c5cc(Cl)cc(Cl)c5 | InChi: | InChI=1S/C31H37Cl2N7O4/c1-21(41)34-17-22-2-5-39(6-3-22)20-23-12-28(24-14-25(32)16-26(33)15-24)37-29(13-23)44-27-18-35-31(36-19-27)40-10-8-38(9-11-40)7-4-30(42)43/h12-16,18-19,22H,2-11,17,20H2,1H3,(H,34,41)(H,42,43)/p+1 | 定義日: | 2022-02-08 | 最終更新日: | 2022-08-22 | 公開日: | 2022-04-20 | 識別子(ID): | 3-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]propanoate |
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![I1X I1X](https://data.pdbj.org/pdbjplus/data/cc/svg/I1X.svg) | I1X | 表記: | 4-methyl-3-nitro-~{N}-[(2~{E},4~{E})-5-[2-[(oxidanylamino)methyl]pyridin-1-yl]penta-2,4-dienyl]benzamide | 組成式: | C19 H23 N4 O4 | SMILES: | Cc1ccc(cc1[N+]([O-])=O)C(=O)NCCCCC[n+]2ccccc2C=NO | InChi: | InChI=1S/C19H22N4O4/c1-15-8-9-16(13-18(15)23(26)27)19(24)20-10-4-2-5-11-22-12-6-3-7-17(22)14-21-25/h3,6-9,12-14H,2,4-5,10-11H2,1H3,(H,20,24)/p+1 | 定義日: | 2022-02-08 | 最終更新日: | 2022-08-22 | 公開日: | 2022-04-27 | 識別子(ID): | ~{N}-[5-[2-[(~{E})-hydroxyiminomethyl]pyridin-1-ium-1-yl]pentyl]-4-methyl-3-nitro-benzamide |
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![I2Q I2Q](https://data.pdbj.org/pdbjplus/data/cc/svg/I2Q.svg) | I2Q | 表記: | 3-methyl-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one | 組成式: | C24 H18 F3 N O2 | SMILES: | CC1=C(Nc2ccccc2C1=O)c3ccc(Cc4ccc(OC(F)(F)F)cc4)cc3 | InChi: | InChI=1S/C24H18F3NO2/c1-15-22(28-21-5-3-2-4-20(21)23(15)29)18-10-6-16(7-11-18)14-17-8-12-19(13-9-17)30-24(25,26)27/h2-13H,14H2,1H3,(H,28,29) | 別名: | 3-methyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-1H-quinolin-4-one | 定義日: | 2022-02-09 | 最終更新日: | 2022-08-22 | 公開日: | 2022-08-10 | 識別子(ID): | 3-methyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-1~{H}-quinolin-4-one |
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![I2T I2T](https://data.pdbj.org/pdbjplus/data/cc/svg/I2T.svg) | I2T | 表記: | (2~{S})-2-azanyl-4-[5-[(2~{S},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-3-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]butanoic acid | 組成式: | C14 H22 N3 O11 P | SMILES: | CN1C=C([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=O)N(CC[CH](N)C(O)=O)C1=O | InChi: | InChI=1S/C14H22N3O11P/c1-16-4-6(12(20)17(14(16)23)3-2-7(15)13(21)22)11-10(19)9(18)8(28-11)5-27-29(24,25)26/h4,7-11,18-19H,2-3,5,15H2,1H3,(H,21,22)(H2,24,25,26)/t7-,8+,9+,10+,11-/m0/s1 | 定義日: | 2022-02-09 | 最終更新日: | 2022-08-22 | 公開日: | 2022-06-15 | 識別子(ID): | (2~{S})-2-azanyl-4-[5-[(2~{S},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-3-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]butanoic acid |
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![I2W I2W](https://data.pdbj.org/pdbjplus/data/cc/svg/I2W.svg) | I2W | 表記: | 2-((4H-1,2,4-triazol-3-yl)thio)-1-(4-(3-chlorophenyl)piperazin-1-yl)ethan-1-one | 組成式: | C14 H16 Cl N5 O S | SMILES: | Clc1cccc(c1)N2CCN(CC2)C(=O)CSc3n[nH]cn3 | InChi: | InChI=1S/C14H16ClN5OS/c15-11-2-1-3-12(8-11)19-4-6-20(7-5-19)13(21)9-22-14-16-10-17-18-14/h1-3,8,10H,4-7,9H2,(H,16,17,18) | 定義日: | 2022-02-09 | 最終更新日: | 2022-08-22 | 公開日: | 2022-05-04 | 識別子(ID): | 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1~{H}-1,2,4-triazol-3-ylsulfanyl)ethanone |
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![I2Z I2Z](https://data.pdbj.org/pdbjplus/data/cc/svg/I2Z.svg) | I2Z | 表記: | 6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4(1H,3H)-dione | 組成式: | C12 H16 N4 O2 | SMILES: | CN[CH]1[CH](N)N(Cc2ccccc2)C(=O)NC1=O | InChi: | InChI=1S/C12H16N4O2/c1-14-9-10(13)16(12(18)15-11(9)17)7-8-5-3-2-4-6-8/h2-6,9-10,14H,7,13H2,1H3,(H,15,17,18)/t9-,10+/m1/s1 | 定義日: | 2022-02-09 | 最終更新日: | 2022-08-22 | 公開日: | 2022-05-04 | 識別子(ID): | (5~{R})-6-azanyl-5-(methylamino)-1-(phenylmethyl)-1,3-diazinane-2,4-dione |
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![I3V I3V](https://data.pdbj.org/pdbjplus/data/cc/svg/I3V.svg) | I3V | 表記: | 5-azanyl-6-methyl-1~{H}-pyrimidine-2,4-dione | 組成式: | C5 H7 N3 O2 | SMILES: | CC1=C(N)C(=O)NC(=O)N1 | InChi: | InChI=1S/C5H7N3O2/c1-2-3(6)4(9)8-5(10)7-2/h6H2,1H3,(H2,7,8,9,10) | 定義日: | 2022-02-10 | 最終更新日: | 2022-08-22 | 公開日: | 2022-03-02 | 識別子(ID): | 5-azanyl-6-methyl-1~{H}-pyrimidine-2,4-dione |
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![I4H I4H](https://data.pdbj.org/pdbjplus/data/cc/svg/I4H.svg) | I4H | 表記: | ~{N}-ethyl-4-methyl-3-nitro-benzamide | 組成式: | C10 H12 N2 O3 | SMILES: | CCNC(=O)c1ccc(C)c(c1)[N+]([O-])=O | InChi: | InChI=1S/C10H12N2O3/c1-3-11-10(13)8-5-4-7(2)9(6-8)12(14)15/h4-6H,3H2,1-2H3,(H,11,13) | 定義日: | 2022-02-10 | 最終更新日: | 2022-08-22 | 公開日: | 2022-04-27 | 識別子(ID): | ~{N}-ethyl-4-methyl-3-nitro-benzamide |
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![I4L I4L](https://data.pdbj.org/pdbjplus/data/cc/svg/I4L.svg) | I4L | 表記: | (2~{S})-2-[2-[4-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid | 組成式: | C24 H22 N2 O12 S | SMILES: | OC(=O)C[C](O)(CC(=O)N1CCN(CC1)[S](=O)(=O)c2cc3C(=O)c4ccccc4C(=O)c3c(O)c2O)C(O)=O | InChi: | InChI=1S/C24H22N2O12S/c27-16(10-24(36,23(34)35)11-17(28)29)25-5-7-26(8-6-25)39(37,38)15-9-14-18(22(33)21(15)32)20(31)13-4-2-1-3-12(13)19(14)30/h1-4,9,32-33,36H,5-8,10-11H2,(H,28,29)(H,34,35)/t24-/m0/s1 | 定義日: | 2022-02-10 | 最終更新日: | 2022-08-22 | 公開日: | 2022-04-06 | 識別子(ID): | (2~{S})-2-[2-[4-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid |
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![I4S I4S](https://data.pdbj.org/pdbjplus/data/cc/svg/I4S.svg) | I4S | 表記: | 3,6-dimethyl-2~{H}-1,2,4-triazin-5-one | 組成式: | C5 H7 N3 O | SMILES: | CC1=NC(=O)C(=NN1)C | InChi: | InChI=1S/C5H7N3O/c1-3-5(9)6-4(2)8-7-3/h1-2H3,(H,6,8,9) | 定義日: | 2022-02-11 | 最終更新日: | 2022-08-22 | 公開日: | 2022-03-02 | 識別子(ID): | 3,6-dimethyl-2~{H}-1,2,4-triazin-5-one |
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![I5B I5B](https://data.pdbj.org/pdbjplus/data/cc/svg/I5B.svg) | I5B | 表記: | (5-methoxy-6-pyridin-4-yl-1~{H}-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone | 組成式: | C19 H21 N5 O2 | SMILES: | COc1cc2c([nH]nc2C(=O)N3CCN(C)CC3)cc1c4ccncc4 | InChi: | InChI=1S/C19H21N5O2/c1-23-7-9-24(10-8-23)19(25)18-15-12-17(26-2)14(11-16(15)21-22-18)13-3-5-20-6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,21,22) | 定義日: | 2022-02-11 | 最終更新日: | 2022-08-22 | 公開日: | 2022-03-23 | 識別子(ID): | (5-methoxy-6-pyridin-4-yl-1~{H}-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone |
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![I5N I5N](https://data.pdbj.org/pdbjplus/data/cc/svg/I5N.svg) | I5N | 表記: | 5-cyclopropyl-6-(2,6-dimethylpyridin-4-yl)-~{N}-[(3~{R},4~{R})-3-fluoranylpiperidin-4-yl]-1~{H}-indazol-3-amine | 組成式: | C22 H26 F N5 | SMILES: | Cc1cc(cc(C)n1)c2cc3[nH]nc(N[CH]4CCNC[CH]4F)c3cc2C5CC5 | InChi: | InChI=1S/C22H26FN5/c1-12-7-15(8-13(2)25-12)17-10-21-18(9-16(17)14-3-4-14)22(28-27-21)26-20-5-6-24-11-19(20)23/h7-10,14,19-20,24H,3-6,11H2,1-2H3,(H2,26,27,28)/t19-,20-/m1/s1 | 定義日: | 2022-02-11 | 最終更新日: | 2022-08-22 | 公開日: | 2022-03-23 | 識別子(ID): | 5-cyclopropyl-6-(2,6-dimethylpyridin-4-yl)-~{N}-[(3~{R},4~{R})-3-fluoranylpiperidin-4-yl]-1~{H}-indazol-3-amine |
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![I5Z I5Z](https://data.pdbj.org/pdbjplus/data/cc/svg/I5Z.svg) | I5Z | 表記: | 6-cyclopropyl-1H-pyrimidine-2,4-dione | 組成式: | C7 H8 N2 O2 | SMILES: | O=C1NC(=O)C=C(N1)C2CC2 | InChi: | InChI=1S/C7H8N2O2/c10-6-3-5(4-1-2-4)8-7(11)9-6/h3-4H,1-2H2,(H2,8,9,10,11) | 定義日: | 2022-02-12 | 最終更新日: | 2022-08-22 | 公開日: | 2022-03-16 | 識別子(ID): | 6-cyclopropyl-1~{H}-pyrimidine-2,4-dione |
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![I62 I62](https://data.pdbj.org/pdbjplus/data/cc/svg/I62.svg) | I62 | 表記: | ~{N}-[(~{E})-3-(diethylamino)prop-2-enyl]-4-methyl-3-nitro-benzamide | 組成式: | C15 H22 N3 O3 | SMILES: | CCN(CC)C=CCNC(=O)c1ccc(C)c(c1)[N+](O)=O | InChi: | InChI=1S/C15H21N3O3/c1-4-17(5-2)10-6-9-16-15(19)13-8-7-12(3)14(11-13)18(20)21/h6-8,10-11H,4-5,9H2,1-3H3,(H-,16,19,20,21)/p+1/b10-6+ | 定義日: | 2022-02-12 | 最終更新日: | 2022-08-22 | 公開日: | 2022-04-27 | 識別子(ID): | [5-[[(~{E})-3-(diethylamino)prop-2-enyl]carbamoyl]-2-methyl-phenyl]-oxidanyl-oxidanylidene-azanium |
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![I6A I6A](https://data.pdbj.org/pdbjplus/data/cc/svg/I6A.svg) | I6A | 表記: | 5-methoxy-6-pyridin-4-yl-1~{H}-indole | 組成式: | C14 H12 N2 O | SMILES: | COc1cc2cc[nH]c2cc1c3ccncc3 | InChi: | InChI=1S/C14H12N2O/c1-17-14-8-11-4-7-16-13(11)9-12(14)10-2-5-15-6-3-10/h2-9,16H,1H3 | 定義日: | 2022-02-12 | 最終更新日: | 2022-08-22 | 公開日: | 2022-03-23 | 識別子(ID): | 5-methoxy-6-pyridin-4-yl-1~{H}-indole |
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![I6R I6R](https://data.pdbj.org/pdbjplus/data/cc/svg/I6R.svg) | I6R | 表記: | 6-ethyl-1H-pyrimidine-2,4-dione | 組成式: | C6 H8 N2 O2 | SMILES: | CCC1=CC(=O)NC(=O)N1 | InChi: | InChI=1S/C6H8N2O2/c1-2-4-3-5(9)8-6(10)7-4/h3H,2H2,1H3,(H2,7,8,9,10) | 定義日: | 2022-02-15 | 最終更新日: | 2022-08-22 | 公開日: | 2022-02-23 | 識別子(ID): | 6-ethyl-1~{H}-pyrimidine-2,4-dione |
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![I78 I78](https://data.pdbj.org/pdbjplus/data/cc/svg/I78.svg) | I78 | 表記: | (2~{R})-2-(carboxycarbonylamino)propanoic acid | 組成式: | C5 H7 N O5 | SMILES: | C[CH](NC(=O)C(O)=O)C(O)=O | InChi: | InChI=1S/C5H7NO5/c1-2(4(8)9)6-3(7)5(10)11/h2H,1H3,(H,6,7)(H,8,9)(H,10,11)/t2-/m1/s1 | 別名: | N-oxalyl-D-alanine | 定義日: | 2022-02-16 | 最終更新日: | 2022-08-22 | 公開日: | 2022-04-27 | 識別子(ID): | (2~{R})-2-(carboxycarbonylamino)propanoic acid |
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