![OYZ OYZ](https://data.pdbj.org/pdbjplus/data/cc/svg/OYZ.svg) | OYZ | 表記: | (2~{R})-2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-5,8-dihydro-1,7-naphthyridin-4-yl]amino]propanoic acid | 組成式: | C26 H24 N4 O3 | SMILES: | CCOc1ccccc1c2ccc(cc2)c3nc4CN=CCc4c(N[CH](C)C(O)=O)c3C#N | InChi: | InChI=1S/C26H24N4O3/c1-3-33-23-7-5-4-6-19(23)17-8-10-18(11-9-17)24-21(14-27)25(29-16(2)26(31)32)20-12-13-28-15-22(20)30-24/h4-11,13,16H,3,12,15H2,1-2H3,(H,29,30)(H,31,32)/t16-/m1/s1 | 定義日: | 2020-04-08 | 最終更新日: | 2021-04-09 | 公開日: | 2021-04-14 | 識別子(ID): | (2~{R})-2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-5,8-dihydro-1,7-naphthyridin-4-yl]amino]propanoic acid |
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![OZ5 OZ5](https://data.pdbj.org/pdbjplus/data/cc/svg/OZ5.svg) | OZ5 | 表記: | (2~{R})-2-[[3-cyano-2-[4-(2-fluoranyl-3-methyl-phenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanoic acid | 組成式: | C26 H21 F N4 O2 | SMILES: | CC[CH](Nc1c2ccncc2nc(c3ccc(cc3)c4cccc(C)c4F)c1C#N)C(O)=O | InChi: | InChI=1S/C26H21FN4O2/c1-3-21(26(32)33)30-25-19-11-12-29-14-22(19)31-24(20(25)13-28)17-9-7-16(8-10-17)18-6-4-5-15(2)23(18)27/h4-12,14,21H,3H2,1-2H3,(H,30,31)(H,32,33)/t21-/m1/s1 | 定義日: | 2020-04-08 | 最終更新日: | 2021-04-09 | 公開日: | 2021-04-14 | 識別子(ID): | (2~{R})-2-[[3-cyano-2-[4-(2-fluoranyl-3-methyl-phenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanoic acid |
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![OZ8 OZ8](https://data.pdbj.org/pdbjplus/data/cc/svg/OZ8.svg) | OZ8 | 表記: | 4-morpholin-4-yl-6-[(2~{R})-2-(phenylmethyl)pyrrolidin-1-yl]-1~{H}-pyridin-2-one | 組成式: | C20 H25 N3 O2 | SMILES: | O=C1NC(=CC(=C1)N2CCOCC2)N3CCC[CH]3Cc4ccccc4 | InChi: | InChI=1S/C20H25N3O2/c24-20-15-18(22-9-11-25-12-10-22)14-19(21-20)23-8-4-7-17(23)13-16-5-2-1-3-6-16/h1-3,5-6,14-15,17H,4,7-13H2,(H,21,24)/t17-/m1/s1 | 定義日: | 2020-04-08 | 最終更新日: | 2021-04-09 | 公開日: | 2021-04-14 | 識別子(ID): | 4-morpholin-4-yl-6-[(2~{R})-2-(phenylmethyl)pyrrolidin-1-yl]-1~{H}-pyridin-2-one |
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![QMK QMK](https://data.pdbj.org/pdbjplus/data/cc/svg/QMK.svg) | QMK | 表記: | ~{N}-[2-[1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[[tris(oxidanyl)-$l^{5}-phosphanyl]oxymethyl]oxolan-2-yl]-1,2,3-triazol-4-yl]ethyl]ethanamide | 組成式: | C11 H19 N4 O8 P | SMILES: | CC(=O)NCCc1cn(nn1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O | InChi: | InChI=1S/C11H19N4O8P/c1-6(16)12-3-2-7-4-15(14-13-7)11-10(18)9(17)8(23-11)5-22-24(19,20)21/h4,8-11,17-18H,2-3,5H2,1H3,(H,12,16)(H2,19,20,21)/t8-,9-,10-,11-/m1/s1 | 定義日: | 2020-07-03 | 最終更新日: | 2021-04-09 | 公開日: | 2021-04-14 | 識別子(ID): | [(2~{R},3~{S},4~{R},5~{R})-5-[4-(2-acetamidoethyl)-1,2,3-triazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
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![HVU HVU](https://data.pdbj.org/pdbjplus/data/cc/svg/HVU.svg) | HVU | 表記: | 3-(1-methylpiperidin-4-yl)-1H-indol-5-ol | 組成式: | C14 H18 N2 O | SMILES: | CN1CCC(CC1)c2c[nH]c3ccc(O)cc23 | InChi: | InChI=1S/C14H18N2O/c1-16-6-4-10(5-7-16)13-9-15-14-3-2-11(17)8-12(13)14/h2-3,8-10,15,17H,4-7H2,1H3 | 定義日: | 2021-02-15 | 最終更新日: | 2021-04-09 | 公開日: | 2021-04-14 | 識別子(ID): | 3-(1-methylpiperidin-4-yl)-1~{H}-indol-5-ol |
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![J40 J40](https://data.pdbj.org/pdbjplus/data/cc/svg/J40.svg) | J40 | 表記: | [(2R)-1-[oxidanyl-[(2R,3R,5S,6R)-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-3-tetradecanoyloxy-propan-2-yl] (5E,8E)-hexadeca-5,8,11,14-tetraenoate | 組成式: | C39 H68 O16 P2 | SMILES: | CCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O)OC(=O)CCCC=CCC=CCC=CCC=CC | InChi: | InChI=1S/C39H68O16P2/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-33(41)53-31(29-51-32(40)27-25-23-21-19-17-14-12-10-8-6-4-2)30-52-57(49,50)55-39-36(44)34(42)38(35(43)37(39)45)54-56(46,47)48/h3,5,9,11,15-16,20,22,31,34-39,42-45H,4,6-8,10,12-14,17-19,21,23-30H2,1-2H3,(H,49,50)(H2,46,47,48)/b5-3?,11-9?,16-15+,22-20+/t31-,34-,35+,36-,37-,38+,39+/m1/s1 | 定義日: | 2021-04-02 | 最終更新日: | 2021-04-09 | 公開日: | 2021-04-14 | 識別子(ID): | [(2~{R})-1-[oxidanyl-[(2~{R},3~{R},5~{S},6~{R})-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-3-tetradecanoyloxy-propan-2-yl] (5~{E},8~{E})-hexadeca-5,8,11,14-tetraenoate |
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![EQC EQC](https://data.pdbj.org/pdbjplus/data/cc/svg/EQC.svg) | EQC | 表記: | Arctigenin | 組成式: | C21 H24 O6 | SMILES: | COc1cc(C[CH]2[CH](COC2=O)Cc3ccc(OC)c(OC)c3)ccc1O | InChi: | InChI=1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1 | 別名: | (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methoxy-4-oxidanyl-phenyl)methyl]oxolan-2-one | 定義日: | 2020-01-20 | 最終更新日: | 2021-04-09 | 公開日: | 2021-04-14 | 識別子(ID): | (3~{R},4~{R})-4-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methoxy-4-oxidanyl-phenyl)methyl]oxolan-2-one |
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![G09 G09](https://data.pdbj.org/pdbjplus/data/cc/svg/G09.svg) | G09 | 表記: | 2-[[(3~{R},5~{R})-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-3-prop-2-enyl-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one | 組成式: | C28 H31 N5 O2 | SMILES: | CN1C[CH](C[CH](C1)c2ccc(OCc3ccccc3)cc2)NC4=Nc5cc[nH]c5C(=O)N4CC=C | InChi: | InChI=1S/C28H31N5O2/c1-3-15-33-27(34)26-25(13-14-29-26)31-28(33)30-23-16-22(17-32(2)18-23)21-9-11-24(12-10-21)35-19-20-7-5-4-6-8-20/h3-14,22-23,29H,1,15-19H2,2H3,(H,30,31)/t22-,23+/m0/s1 | 定義日: | 2020-07-14 | 最終更新日: | 2021-04-09 | 公開日: | 2021-04-14 | 識別子(ID): | 2-[[(3~{R},5~{R})-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-3-prop-2-enyl-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one |
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![GBS GBS](https://data.pdbj.org/pdbjplus/data/cc/svg/GBS.svg) | GBS | 表記: | 4-carbamimidamidobenzoic acid | 組成式: | C8 H9 N3 O2 | SMILES: | NC(=N)Nc1ccc(cc1)C(=O)O | InChi: | InChI=1S/C8H9N3O2/c9-8(10)11-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)(H4,9,10,11) | 別名: | Nafamostat, bound form | 定義日: | 1999-07-08 | 最終更新日: | 2021-04-09 | 識別子(ID): | 4-carbamimidamidobenzoic acid |
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![YE4 YE4](https://data.pdbj.org/pdbjplus/data/cc/svg/YE4.svg) | YE4 | 表記: | N-(4-chlorobenzyl)-1-methyl-6-(morpholinomethyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide | 組成式: | C23 H24 Cl N3 O3 | SMILES: | c4(ccc(CNC(C1=CN(C)c2ccc(cc2C1=O)CN3CCOCC3)=O)cc4)Cl | InChi: | InChI=1S/C23H24ClN3O3/c1-26-15-20(23(29)25-13-16-2-5-18(24)6-3-16)22(28)19-12-17(4-7-21(19)26)14-27-8-10-30-11-9-27/h2-7,12,15H,8-11,13-14H2,1H3,(H,25,29) | 定義日: | 2021-02-23 | 最終更新日: | 2021-04-02 | 公開日: | 2021-04-07 | 識別子(ID): | N-[(4-chlorophenyl)methyl]-1-methyl-6-[(morpholin-4-yl)methyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide |
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![TXM TXM](https://data.pdbj.org/pdbjplus/data/cc/svg/TXM.svg) | TXM | 表記: | (2S)-3-methyl-2-{5-methyl-2-[(thiophen-2-yl)ethynyl]-1-benzofuran-3-yl}butanoic acid | 組成式: | C20 H18 O3 S | SMILES: | c3cc1c(c(C(C(C)C)C(O)=O)c(o1)C#Cc2sccc2)cc3C | InChi: | InChI=1S/C20H18O3S/c1-12(2)18(20(21)22)19-15-11-13(3)6-8-16(15)23-17(19)9-7-14-5-4-10-24-14/h4-6,8,10-12,18H,1-3H3,(H,21,22)/t18-/m0/s1 | 定義日: | 2020-04-02 | 最終更新日: | 2021-04-02 | 公開日: | 2021-04-07 | 識別子(ID): | (2S)-3-methyl-2-{5-methyl-2-[(thiophen-2-yl)ethynyl]-1-benzofuran-3-yl}butanoic acid |
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![RVZ RVZ](https://data.pdbj.org/pdbjplus/data/cc/svg/RVZ.svg) | RVZ | 表記: | 2-azanyl-6-(1~{H}-imidazol-2-ylmethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile | 組成式: | C17 H12 N6 S | SMILES: | Nc1nc(SCc2[nH]ccn2)c(C#N)c(c3ccccc3)c1C#N | InChi: | InChI=1S/C17H12N6S/c18-8-12-15(11-4-2-1-3-5-11)13(9-19)17(23-16(12)20)24-10-14-21-6-7-22-14/h1-7H,10H2,(H2,20,23)(H,21,22) | 定義日: | 2020-10-25 | 最終更新日: | 2021-04-02 | 公開日: | 2021-04-07 | 識別子(ID): | 2-azanyl-6-(1~{H}-imidazol-2-ylmethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile |
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![URW URW](https://data.pdbj.org/pdbjplus/data/cc/svg/URW.svg) | URW | 表記: | 2-[[5-[[2-[bis(fluoranyl)methoxy]phenyl]methyl-[(2~{R})-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-1~{H}-imidazol-2-yl]carbonyl]isoindole-5-carboxamide | 組成式: | C26 H24 F2 N6 O5 | SMILES: | CNC(=O)[CH](C)N(Cc1ccccc1OC(F)F)C(=O)c2[nH]c(nc2)C(=O)n3cc4ccc(cc4c3)C(N)=O | InChi: | InChI=1S/C26H24F2N6O5/c1-14(23(36)30-2)34(13-17-5-3-4-6-20(17)39-26(27)28)24(37)19-10-31-22(32-19)25(38)33-11-16-8-7-15(21(29)35)9-18(16)12-33/h3-12,14,26H,13H2,1-2H3,(H2,29,35)(H,30,36)(H,31,32)/t14-/m1/s1 | 定義日: | 2021-03-10 | 最終更新日: | 2021-04-02 | 公開日: | 2021-04-07 | 識別子(ID): | 2-[[5-[[2-[bis(fluoranyl)methoxy]phenyl]methyl-[(2~{R})-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-1~{H}-imidazol-2-yl]carbonyl]isoindole-5-carboxamide |
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![U07 U07](https://data.pdbj.org/pdbjplus/data/cc/svg/U07.svg) | U07 | 表記: | (2~5~S)-2~3~,2~5~,2~6~-trihydroxy[1~1~,2~1~:2~4~,3~1~-terphenyl]-2~2~(2~5~H)-one | 組成式: | C18 H14 O4 | SMILES: | C2(O)=C(c1ccccc1)C(C(=C(C2O)c3ccccc3)O)=O | InChi: | InChI=1S/C18H14O4/c19-15-13(11-7-3-1-4-8-11)16(20)18(22)14(17(15)21)12-9-5-2-6-10-12/h1-10,15,19-21H/t15-/m0/s1 | 定義日: | 2020-04-06 | 最終更新日: | 2021-04-02 | 公開日: | 2021-04-07 | 識別子(ID): | (2~5~S)-2~3~,2~5~,2~6~-trihydroxy[1~1~,2~1~:2~4~,3~1~-terphenyl]-2~2~(2~5~H)-one |
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![U0H U0H](https://data.pdbj.org/pdbjplus/data/cc/svg/U0H.svg) | U0H | 表記: | ~{N}-~{tert}-butyl-2-methoxy-~{N}'-(3-methoxy-2-methyl-phenyl)carbonyl-pyridine-3-carbohydrazide | 組成式: | C20 H25 N3 O4 | SMILES: | COc1cccc(C(=O)NN(C(=O)c2cccnc2OC)C(C)(C)C)c1C | InChi: | InChI=1S/C20H25N3O4/c1-13-14(9-7-11-16(13)26-5)17(24)22-23(20(2,3)4)19(25)15-10-8-12-21-18(15)27-6/h7-12H,1-6H3,(H,22,24) | 定義日: | 2021-01-15 | 最終更新日: | 2021-04-02 | 公開日: | 2021-04-07 | 識別子(ID): | ~{N}-~{tert}-butyl-2-methoxy-~{N}'-(3-methoxy-2-methyl-phenyl)carbonyl-pyridine-3-carbohydrazide |
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![JT8 JT8](https://data.pdbj.org/pdbjplus/data/cc/svg/JT8.svg) | JT8 | 表記: | (3~{S},7~{S},8~{S})-7-oxidanyl-8-(phenylmethyl)-3-(pyridin-2-ylmethyl)-1,4,9-triazacyclotricosane-2,5,10-trione | 組成式: | C33 H48 N4 O4 | SMILES: | O[CH]1CC(=O)N[CH](Cc2ccccn2)C(=O)NCCCCCCCCCCCCCC(=O)N[CH]1Cc3ccccc3 | InChi: | InChI=1S/C33H48N4O4/c38-30-25-32(40)37-29(24-27-19-14-16-21-34-27)33(41)35-22-15-9-7-5-3-1-2-4-6-8-13-20-31(39)36-28(30)23-26-17-11-10-12-18-26/h10-12,14,16-19,21,28-30,38H,1-9,13,15,20,22-25H2,(H,35,41)(H,36,39)(H,37,40)/t28-,29-,30-/m0/s1 | 定義日: | 2019-03-26 | 最終更新日: | 2021-04-02 | 公開日: | 2021-04-07 | 識別子(ID): | (3~{S},7~{S},8~{S})-7-oxidanyl-8-(phenylmethyl)-3-(pyridin-2-ylmethyl)-1,4,9-triazacyclotricosane-2,5,10-trione |
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![UG7 UG7](https://data.pdbj.org/pdbjplus/data/cc/svg/UG7.svg) | UG7 | 表記: | N-{[3-(3-carbamothioylphenyl)-1-{1-[(trifluoromethyl)sulfonyl]piperidin-4-yl}-1H-indol-6-yl]methyl}azetidine-3-carboxamide | 組成式: | C26 H28 F3 N5 O3 S2 | SMILES: | c1cc(cc(c1)c5c2c(cc(cc2)CNC(C3CNC3)=O)n(C4CCN(CC4)S(C(F)(F)F)(=O)=O)c5)C(N)=S | InChi: | InChI=1S/C26H28F3N5O3S2/c27-26(28,29)39(36,37)33-8-6-20(7-9-33)34-15-22(17-2-1-3-18(11-17)24(30)38)21-5-4-16(10-23(21)34)12-32-25(35)19-13-31-14-19/h1-5,10-11,15,19-20,31H,6-9,12-14H2,(H2,30,38)(H,32,35) | 定義日: | 2020-05-17 | 最終更新日: | 2021-04-02 | 公開日: | 2021-04-07 | 識別子(ID): | N-{[3-(3-carbamothioylphenyl)-1-{1-[(trifluoromethyl)sulfonyl]piperidin-4-yl}-1H-indol-6-yl]methyl}azetidine-3-carboxamide |
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![YK1 YK1](https://data.pdbj.org/pdbjplus/data/cc/svg/YK1.svg) | YK1 | 表記: | 4-[2-fluoro-6-(trifluoromethyl)anilino]-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide | 組成式: | C23 H22 F4 N6 O2 | SMILES: | FC(F)(F)c1cccc(F)c1Nc1nc(ncc1C(N)=O)Nc1cc2CN(C)CCc2cc1OC | InChi: | InChI=1S/C23H22F4N6O2/c1-33-7-6-12-9-18(35-2)17(8-13(12)11-33)30-22-29-10-14(20(28)34)21(32-22)31-19-15(23(25,26)27)4-3-5-16(19)24/h3-5,8-10H,6-7,11H2,1-2H3,(H2,28,34)(H2,29,30,31,32) | 定義日: | 2021-03-11 | 最終更新日: | 2021-04-02 | 公開日: | 2021-04-07 | 識別子(ID): | 4-[2-fluoro-6-(trifluoromethyl)anilino]-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide |
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![YK4 YK4](https://data.pdbj.org/pdbjplus/data/cc/svg/YK4.svg) | YK4 | 表記: | 4-(2-bromoanilino)-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide | 組成式: | C22 H23 Br N6 O2 | SMILES: | Brc1ccccc1Nc1nc(ncc1C(N)=O)Nc1cc2CN(C)CCc2cc1OC | InChi: | InChI=1S/C22H23BrN6O2/c1-29-8-7-13-10-19(31-2)18(9-14(13)12-29)27-22-25-11-15(20(24)30)21(28-22)26-17-6-4-3-5-16(17)23/h3-6,9-11H,7-8,12H2,1-2H3,(H2,24,30)(H2,25,26,27,28) | 定義日: | 2021-03-11 | 最終更新日: | 2021-04-02 | 公開日: | 2021-04-07 | 識別子(ID): | 4-(2-bromoanilino)-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide |
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![QT5 QT5](https://data.pdbj.org/pdbjplus/data/cc/svg/QT5.svg) | QT5 | 表記: | [3-(2-methylimidazol-1-yl)phenyl]methanamine | 組成式: | C11 H13 N3 | SMILES: | Cc1nccn1c2cccc(CN)c2 | InChi: | InChI=1S/C11H13N3/c1-9-13-5-6-14(9)11-4-2-3-10(7-11)8-12/h2-7H,8,12H2,1H3 | 定義日: | 2020-08-05 | 最終更新日: | 2021-04-02 | 公開日: | 2021-04-07 | 識別子(ID): | [3-(2-methylimidazol-1-yl)phenyl]methanamine |
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![YK7 YK7](https://data.pdbj.org/pdbjplus/data/cc/svg/YK7.svg) | YK7 | 表記: | 4-anilino-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide | 組成式: | C22 H24 N6 O2 | SMILES: | NC(=O)c1cnc(nc1Nc1ccccc1)Nc1cc2CN(C)CCc2cc1OC | InChi: | InChI=1S/C22H24N6O2/c1-28-9-8-14-11-19(30-2)18(10-15(14)13-28)26-22-24-12-17(20(23)29)21(27-22)25-16-6-4-3-5-7-16/h3-7,10-12H,8-9,13H2,1-2H3,(H2,23,29)(H2,24,25,26,27) | 定義日: | 2021-03-11 | 最終更新日: | 2021-04-02 | 公開日: | 2021-04-07 | 識別子(ID): | 4-anilino-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide |
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![Y3G Y3G](https://data.pdbj.org/pdbjplus/data/cc/svg/Y3G.svg) | Y3G | 表記: | 5-ethynylpyrimidine-2,4(1H,3H)-dione | 組成式: | C6 H4 N2 O2 | SMILES: | C#CC=1C(NC(NC=1)=O)=O | InChi: | InChI=1S/C6H4N2O2/c1-2-4-3-7-6(10)8-5(4)9/h1,3H,(H2,7,8,9,10) | 定義日: | 2021-02-01 | 最終更新日: | 2021-04-02 | 公開日: | 2021-04-07 | 識別子(ID): | 5-ethynylpyrimidine-2,4(1H,3H)-dione |
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![U3Z U3Z](https://data.pdbj.org/pdbjplus/data/cc/svg/U3Z.svg) | U3Z | 表記: | (3~{R})-3-(4-chlorophenyl)-2-[(4-ethynylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one | 組成式: | C31 H30 Cl N O4 | SMILES: | CC(C)(O)c1ccc2c(c1)C(=O)N(Cc3ccc(cc3)C#C)[C]2(OCC4(CO)CC4)c5ccc(Cl)cc5 | InChi: | InChI=1S/C31H30ClNO4/c1-4-21-5-7-22(8-6-21)18-33-28(35)26-17-24(29(2,3)36)11-14-27(26)31(33,23-9-12-25(32)13-10-23)37-20-30(19-34)15-16-30/h1,5-14,17,34,36H,15-16,18-20H2,2-3H3/t31-/m1/s1 | 定義日: | 2021-01-20 | 最終更新日: | 2021-04-02 | 公開日: | 2021-04-07 | 識別子(ID): | (3~{R})-3-(4-chlorophenyl)-2-[(4-ethynylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one |
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![Y49 Y49](https://data.pdbj.org/pdbjplus/data/cc/svg/Y49.svg) | Y49 | 表記: | 4-(6-aminocarbonyl-8-oxidanylidene-9-phenyl-7H-purin-2-yl)benzoic acid | 組成式: | C19 H13 N5 O4 | SMILES: | NC(=O)c1nc(nc2N(C(=O)Nc12)c3ccccc3)c4ccc(cc4)C(O)=O | InChi: | InChI=1S/C19H13N5O4/c20-15(25)13-14-17(24(19(28)22-14)12-4-2-1-3-5-12)23-16(21-13)10-6-8-11(9-7-10)18(26)27/h1-9H,(H2,20,25)(H,22,28)(H,26,27) | 定義日: | 2020-04-08 | 最終更新日: | 2021-04-02 | 公開日: | 2021-04-07 | 識別子(ID): | 4-(6-aminocarbonyl-8-oxidanylidene-9-phenyl-7~{H}-purin-2-yl)benzoic acid |
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![UWZ UWZ](https://data.pdbj.org/pdbjplus/data/cc/svg/UWZ.svg) | UWZ | 表記: | ~{N}-[[2-[bis(fluoranyl)methoxy]phenyl]methyl]-~{N}-[2-(methylamino)-2-oxidanylidene-ethyl]-2-pyrrolidin-1-ylcarbonyl-1~{H}-imidazole-4-carboxamide | 組成式: | C20 H23 F2 N5 O4 | SMILES: | CNC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c2c[nH]c(n2)C(=O)N3CCCC3 | InChi: | InChI=1S/C20H23F2N5O4/c1-23-16(28)12-27(11-13-6-2-3-7-15(13)31-20(21)22)18(29)14-10-24-17(25-14)19(30)26-8-4-5-9-26/h2-3,6-7,10,20H,4-5,8-9,11-12H2,1H3,(H,23,28)(H,24,25) | 定義日: | 2021-03-25 | 最終更新日: | 2021-04-02 | 公開日: | 2021-04-07 | 識別子(ID): | ~{N}-[[2-[bis(fluoranyl)methoxy]phenyl]methyl]-~{N}-[2-(methylamino)-2-oxidanylidene-ethyl]-2-pyrrolidin-1-ylcarbonyl-1~{H}-imidazole-4-carboxamide |
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