![B6I B6I](https://data.pdbj.org/pdbjplus/data/cc/svg/B6I.svg) | B6I | 表記: | 6-methyl-4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[4,3-d]pyrimidin-5-one | 組成式: | C21 H28 N8 O | SMILES: | CN1CCC(CC1)n2cc(Nc3nc(NC4(C)CC4)c5C(=O)N(C)C=Cc5n3)cn2 | InChi: | InChI=1S/C21H28N8O/c1-21(7-8-21)26-18-17-16(6-11-28(3)19(17)30)24-20(25-18)23-14-12-22-29(13-14)15-4-9-27(2)10-5-15/h6,11-13,15H,4-5,7-10H2,1-3H3,(H2,23,24,25,26) | 定義日: | 2021-12-07 | 最終更新日: | 2022-08-22 | 公開日: | 2022-05-04 | 識別子(ID): | 6-methyl-4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[4,3-d]pyrimidin-5-one |
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![7OM 7OM](https://data.pdbj.org/pdbjplus/data/cc/svg/7OM.svg) | 7OM | 表記: | (3~{R})-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-~{N}-naphthalen-2-yl-piperidine-3-carboxamide | 組成式: | C22 H22 N6 O | SMILES: | Cc1cc(N2CCC[CH](C2)C(=O)Nc3ccc4ccccc4c3)n5ncnc5n1 | InChi: | InChI=1S/C22H22N6O/c1-15-11-20(28-22(25-15)23-14-24-28)27-10-4-7-18(13-27)21(29)26-19-9-8-16-5-2-3-6-17(16)12-19/h2-3,5-6,8-9,11-12,14,18H,4,7,10,13H2,1H3,(H,26,29)/t18-/m1/s1 | 定義日: | 2016-11-25 | 最終更新日: | 2022-08-22 | 公開日: | 2017-02-22 | 識別子(ID): | (3~{R})-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-~{N}-naphthalen-2-yl-piperidine-3-carboxamide |
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![7XW 7XW](https://data.pdbj.org/pdbjplus/data/cc/svg/7XW.svg) | 7XW | 表記: | N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-pyridin-3-yl]benzenesulfonamide | 組成式: | C17 H18 N2 O4 S | SMILES: | COc1ncc(cc1N[S](=O)(=O)c2ccccc2)C3=CCOCC3 | InChi: | InChI=1S/C17H18N2O4S/c1-22-17-16(19-24(20,21)15-5-3-2-4-6-15)11-14(12-18-17)13-7-9-23-10-8-13/h2-7,11-12,19H,8-10H2,1H3 | 別名: | N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxypyridin-3-yl]benzenesulfonamide | 定義日: | 2021-09-13 | 最終更新日: | 2022-08-22 | 公開日: | 2021-09-29 | 識別子(ID): | ~{N}-[5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-pyridin-3-yl]benzenesulfonamide |
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![7YE 7YE](https://data.pdbj.org/pdbjplus/data/cc/svg/7YE.svg) | 7YE | 表記: | N-[4-[(5R)-6-oxidanylidene-5-quinolin-5-yl-5-(trifluoromethyl)-1,4-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide | 組成式: | C28 H21 F3 N6 O2 | SMILES: | FC(F)(F)[C]1(CC(=NNC1=O)c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)c5cccc6ncccc56 | InChi: | InChI=1S/C28H21F3N6O2/c29-28(30,31)27(22-4-1-5-23-21(22)3-2-11-33-23)13-24(35-36-25(27)38)17-6-8-20(9-7-17)34-26(39)37-15-18-10-12-32-14-19(18)16-37/h1-12,14H,13,15-16H2,(H,34,39)(H,36,38)/t27-/m1/s1 | 別名: | N-[4-[(5R)-6-oxo-5-quinolin-5-yl-5-(trifluoromethyl)-1,4-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide | 定義日: | 2021-09-15 | 最終更新日: | 2022-08-22 | 公開日: | 2022-06-15 | 識別子(ID): | ~{N}-[4-[(5~{R})-6-oxidanylidene-5-quinolin-5-yl-5-(trifluoromethyl)-1,4-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide |
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![7YK 7YK](https://data.pdbj.org/pdbjplus/data/cc/svg/7YK.svg) | 7YK | 表記: | N-[4-[(4R)-4-methyl-1-(oxan-4-yl)-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide | 組成式: | C24 H27 N5 O3 | SMILES: | C[CH]1CC(=O)N(N=C1c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)C5CCOCC5 | InChi: | InChI=1S/C24H27N5O3/c1-16-12-22(30)29(21-7-10-32-11-8-21)27-23(16)17-2-4-20(5-3-17)26-24(31)28-14-18-6-9-25-13-19(18)15-28/h2-6,9,13,16,21H,7-8,10-12,14-15H2,1H3,(H,26,31)/t16-/m1/s1 | 定義日: | 2021-09-15 | 最終更新日: | 2022-08-22 | 公開日: | 2022-06-15 | 識別子(ID): | ~{N}-[4-[(4~{R})-4-methyl-1-(oxan-4-yl)-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide |
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![7YT 7YT](https://data.pdbj.org/pdbjplus/data/cc/svg/7YT.svg) | 7YT | 表記: | N-[4-[(4R)-1,4-dimethyl-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide | 組成式: | C20 H21 N5 O2 | SMILES: | C[CH]1CC(=O)N(C)N=C1c2ccc(NC(=O)N3Cc4cccnc4C3)cc2 | InChi: | InChI=1S/C20H21N5O2/c1-13-10-18(26)24(2)23-19(13)14-5-7-16(8-6-14)22-20(27)25-11-15-4-3-9-21-17(15)12-25/h3-9,13H,10-12H2,1-2H3,(H,22,27)/t13-/m1/s1 | 別名: | N-[4-[(4R)-1,4-Dimethyl-6-oxo-4,5-dihydropyridazin-3-yl]phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide | 定義日: | 2021-09-15 | 最終更新日: | 2022-08-22 | 公開日: | 2022-06-15 | 識別子(ID): | ~{N}-[4-[(4~{R})-1,4-dimethyl-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide |
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![7YX 7YX](https://data.pdbj.org/pdbjplus/data/cc/svg/7YX.svg) | 7YX | 表記: | N-[4-[(4R)-1-cyclopentyl-4-methyl-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide | 組成式: | C24 H27 N5 O2 | SMILES: | C[CH]1CC(=O)N(N=C1c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)C5CCCC5 | InChi: | InChI=1S/C24H27N5O2/c1-16-12-22(30)29(21-4-2-3-5-21)27-23(16)17-6-8-20(9-7-17)26-24(31)28-14-18-10-11-25-13-19(18)15-28/h6-11,13,16,21H,2-5,12,14-15H2,1H3,(H,26,31)/t16-/m1/s1 | 定義日: | 2021-09-15 | 最終更新日: | 2022-08-22 | 公開日: | 2022-06-15 | 識別子(ID): | ~{N}-[4-[(4~{R})-1-cyclopentyl-4-methyl-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide |
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![7Z2 7Z2](https://data.pdbj.org/pdbjplus/data/cc/svg/7Z2.svg) | 7Z2 | 表記: | N-[4-[(5R)-1-(4-azanylbutyl)-6-oxidanylidene-5-quinolin-5-yl-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide | 組成式: | C31 H31 N7 O2 | SMILES: | NCCCCN1N=C(C[CH](C1=O)c2cccc3ncccc23)c4ccc(NC(=O)N5Cc6ccncc6C5)cc4 | InChi: | InChI=1S/C31H31N7O2/c32-13-1-2-16-38-30(39)27(25-5-3-7-28-26(25)6-4-14-34-28)17-29(36-38)21-8-10-24(11-9-21)35-31(40)37-19-22-12-15-33-18-23(22)20-37/h3-12,14-15,18,27H,1-2,13,16-17,19-20,32H2,(H,35,40)/t27-/m1/s1 | 定義日: | 2021-09-15 | 最終更新日: | 2022-08-22 | 公開日: | 2022-06-15 | 識別子(ID): | ~{N}-[4-[(5~{R})-1-(4-azanylbutyl)-6-oxidanylidene-5-quinolin-5-yl-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide |
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![7ZH 7ZH](https://data.pdbj.org/pdbjplus/data/cc/svg/7ZH.svg) | 7ZH | 表記: | methyl 6-[4-[[~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate | 組成式: | C28 H34 N10 O7 | SMILES: | COC(=O)c1cc(O)c2cc(NC(=O)NCCCCNC(=N)NC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)ccc2c1 | InChi: | InChI=1S/C28H34N10O7/c1-44-26(42)15-8-14-4-5-16(10-17(14)18(39)9-15)37-28(43)32-7-3-2-6-31-27(30)33-11-19-21(40)22(41)25(45-19)38-13-36-20-23(29)34-12-35-24(20)38/h4-5,8-10,12-13,19,21-22,25,39-41H,2-3,6-7,11H2,1H3,(H2,29,34,35)(H3,30,31,33)(H2,32,37,43)/t19-,21-,22-,25-/m1/s1 | 定義日: | 2021-09-17 | 最終更新日: | 2022-08-22 | 公開日: | 2022-04-06 | 識別子(ID): | methyl 6-[4-[[~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate |
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![7ZN 7ZN](https://data.pdbj.org/pdbjplus/data/cc/svg/7ZN.svg) | 7ZN | 表記: | 2-[2-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethyl]benzoic acid | 組成式: | C23 H26 N4 O4 S | SMILES: | OC(=O)c1ccccc1CCN2C(=S)NN=C2c3cccc(OCCN4CCOCC4)c3 | InChi: | InChI=1S/C23H26N4O4S/c28-22(29)20-7-2-1-4-17(20)8-9-27-21(24-25-23(27)32)18-5-3-6-19(16-18)31-15-12-26-10-13-30-14-11-26/h1-7,16H,8-15H2,(H,25,32)(H,28,29) | 別名: | 2-[2-[3-(3-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethyl]benzoic acid | 定義日: | 2021-09-20 | 最終更新日: | 2022-08-22 | 公開日: | 2022-03-16 | 識別子(ID): | 2-[2-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]ethyl]benzoic acid |
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![B7R B7R](https://data.pdbj.org/pdbjplus/data/cc/svg/B7R.svg) | B7R | 表記: | 4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-6-pyrimidin-5-yl-pyrido[4,3-d]pyrimidin-5-one | 組成式: | C24 H28 N10 O | SMILES: | CN1CCC(CC1)n2cc(Nc3nc(NC4(C)CC4)c5C(=O)N(C=Cc5n3)c6cncnc6)cn2 | InChi: | InChI=1S/C24H28N10O/c1-24(6-7-24)31-21-20-19(5-10-33(22(20)35)18-12-25-15-26-13-18)29-23(30-21)28-16-11-27-34(14-16)17-3-8-32(2)9-4-17/h5,10-15,17H,3-4,6-9H2,1-2H3,(H2,28,29,30,31) | 定義日: | 2021-12-07 | 最終更新日: | 2022-08-22 | 公開日: | 2022-05-04 | 識別子(ID): | 4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-6-pyrimidin-5-yl-pyrido[4,3-d]pyrimidin-5-one |
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![B8I B8I](https://data.pdbj.org/pdbjplus/data/cc/svg/B8I.svg) | B8I | 表記: | methyl 4-[4-[[6-(cyanomethyl)-2-[(1-methylpyrazol-4-yl)amino]-5-oxidanylidene-pyrido[4,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate | 組成式: | C25 H32 N10 O3 | SMILES: | COC(=O)N1CCN(CC1)[CH]2CC[CH](CC2)Nc3nc(Nc4cnn(C)c4)nc5C=CN(CC#N)C(=O)c35 | InChi: | InChI=1S/C25H32N10O3/c1-32-16-18(15-27-32)29-24-30-20-7-9-34(10-8-26)23(36)21(20)22(31-24)28-17-3-5-19(6-4-17)33-11-13-35(14-12-33)25(37)38-2/h7,9,15-17,19H,3-6,10-14H2,1-2H3,(H2,28,29,30,31)/t17-,19- | 定義日: | 2021-12-07 | 最終更新日: | 2022-08-22 | 公開日: | 2022-05-04 | 識別子(ID): | methyl 4-[4-[[6-(cyanomethyl)-2-[(1-methylpyrazol-4-yl)amino]-5-oxidanylidene-pyrido[4,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate |
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![BOI BOI](https://data.pdbj.org/pdbjplus/data/cc/svg/BOI.svg) | BOI | 表記: | [[(2~{R},3~{S},4~{R},5~{R})-5-[(4~{E})-4-[(4-chlorophenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid | 組成式: | C18 H24 Cl N3 O11 P2 | SMILES: | CN1C(=O)N(C=CC1=NOCc2ccc(Cl)cc2)[CH]3O[CH](CO[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]3O | InChi: | InChI=1S/C18H24ClN3O11P2/c1-21-14(20-31-8-11-2-4-12(19)5-3-11)6-7-22(18(21)25)17-16(24)15(23)13(33-17)9-32-35(29,30)10-34(26,27)28/h2-7,13,15-17,23-24H,8-10H2,1H3,(H,29,30)(H2,26,27,28)/b20-14+/t13-,15-,16-,17-/m1/s1 | 定義日: | 2021-12-08 | 最終更新日: | 2022-08-22 | 公開日: | 2022-02-16 | 識別子(ID): | [[(2~{R},3~{S},4~{R},5~{R})-5-[(4~{E})-4-[(4-chlorophenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid |
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![F0R F0R](https://data.pdbj.org/pdbjplus/data/cc/svg/F0R.svg) | F0R | 表記: | 1-(furan-2-ylmethyl)-3-(2-methylphenyl)thiourea | 組成式: | C13 H14 N2 O S | SMILES: | Cc1ccccc1NC(=S)NCc2occc2 | InChi: | InChI=1S/C13H14N2OS/c1-10-5-2-3-7-12(10)15-13(17)14-9-11-6-4-8-16-11/h2-8H,9H2,1H3,(H2,14,15,17) | 定義日: | 2022-01-18 | 最終更新日: | 2022-08-22 | 公開日: | 2022-02-09 | 識別子(ID): | 1-(furan-2-ylmethyl)-3-(2-methylphenyl)thiourea |
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![F2L F2L](https://data.pdbj.org/pdbjplus/data/cc/svg/F2L.svg) | F2L | 表記: | ~{N}-[2,6-bis(fluoranyl)phenyl]ethanamide | 組成式: | C8 H7 F2 N O | SMILES: | CC(=O)Nc1c(F)cccc1F | InChi: | InChI=1S/C8H7F2NO/c1-5(12)11-8-6(9)3-2-4-7(8)10/h2-4H,1H3,(H,11,12) | 定義日: | 2022-01-18 | 最終更新日: | 2022-08-22 | 公開日: | 2022-02-09 | 識別子(ID): | ~{N}-[2,6-bis(fluoranyl)phenyl]ethanamide |
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![F3I F3I](https://data.pdbj.org/pdbjplus/data/cc/svg/F3I.svg) | F3I | 表記: | (mi2-acetato-O, O')-hexaaquo-dirhodium (II) | 組成式: | C2 H10 O8 Rh2 | SMILES: | CC(O[Rh+](O)(O)O)O[Rh+](O)(O)O | InChi: | InChI=1S/C2H4O2.6H2O.2Rh/c1-2(3)4 | 定義日: | 2022-01-19 | 最終更新日: | 2022-08-22 | 公開日: | 2022-03-16 | 識別子(ID): | tris(oxidanyl)-[1-[tris(oxidanyl)rhodiooxy]ethoxy]rhodium |
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![F5I F5I](https://data.pdbj.org/pdbjplus/data/cc/svg/F5I.svg) | F5I | 表記: | cis-bis(mi2-acetato-O, O')-tetraaquo-dirhodium(II) | 組成式: | C4 H12 O8 Rh2 | SMILES: | C[CH]1O[Rh+](O)(O)O[CH](C)O[Rh+](O)(O)O1 | InChi: | InChI=1S/2C2H4O2.4H2O.2Rh/c2*1-2(3)4 | 定義日: | 2022-01-19 | 最終更新日: | 2022-08-22 | 公開日: | 2022-03-02 | 識別子(ID): | 3,7-dimethyl-1,1,5,5-tetrakis(oxidanyl)-2,4,6,8-tetraoxa-1$l^{5},5$l^{5}-dirhodabicyclo[3.3.0]octane |
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![F5T F5T](https://data.pdbj.org/pdbjplus/data/cc/svg/F5T.svg) | F5T | 表記: | cis-bis(mi2-acetato-O, O')-(mi2-trifluoroacetato-O, O')-diaquo-dirhodium (II) | 組成式: | C6 H11 F3 O8 Rh2 | SMILES: | C[CH]1O[Rh+]2(O)O[CH](C)O[Rh+](O)(O1)O[CH](O2)C(F)(F)F | InChi: | InChI=1S/C2HF3O2.2C2H4O2.2H2O.2Rh/c3-2(4,5)1(6)7 | 定義日: | 2022-01-19 | 最終更新日: | 2022-08-22 | 公開日: | 2022-03-02 | 識別子(ID): | 3,7-dimethyl-1,5-bis(oxidanyl)-10-(trifluoromethyl)-2,4,6,8,9,11-hexaoxa-1$l^{5},5$l^{5}-dirhodatricyclo[3.3.3.0^{1,5}]undecane |
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![BW0 BW0](https://data.pdbj.org/pdbjplus/data/cc/svg/BW0.svg) | BW0 | 表記: | [[(2~{R},3~{S},4~{R},5~{R})-5-[(4~{E})-4-[(4-methoxycarbonylphenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid | 組成式: | C20 H27 N3 O13 P2 | SMILES: | COC(=O)c1ccc(CON=C2C=CN([CH]3O[CH](CO[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]3O)C(=O)N2C)cc1 | InChi: | InChI=1S/C20H27N3O13P2/c1-22-15(21-34-9-12-3-5-13(6-4-12)19(26)33-2)7-8-23(20(22)27)18-17(25)16(24)14(36-18)10-35-38(31,32)11-37(28,29)30/h3-8,14,16-18,24-25H,9-11H2,1-2H3,(H,31,32)(H2,28,29,30)/b21-15+/t14-,16-,17-,18-/m1/s1 | 定義日: | 2021-12-09 | 最終更新日: | 2022-08-22 | 公開日: | 2022-02-16 | 識別子(ID): | [[(2~{R},3~{S},4~{R},5~{R})-5-[(4~{E})-4-[(4-methoxycarbonylphenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid |
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![F7I F7I](https://data.pdbj.org/pdbjplus/data/cc/svg/F7I.svg) | F7I | 表記: | ~{N}-(phenylmethyl)-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide | 組成式: | C24 H23 N5 O3 | SMILES: | O=C(NCc1ccccc1)c2ccc3cc2OCCOCCNc4ccn5ncc3c5n4 | InChi: | InChI=1S/C24H23N5O3/c30-24(26-15-17-4-2-1-3-5-17)19-7-6-18-14-21(19)32-13-12-31-11-9-25-22-8-10-29-23(28-22)20(18)16-27-29/h1-8,10,14,16H,9,11-13,15H2,(H,25,28)(H,26,30) | 定義日: | 2022-01-19 | 最終更新日: | 2022-08-22 | 公開日: | 2022-02-02 | 識別子(ID): | ~{N}-(phenylmethyl)-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide |
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![97S 97S](https://data.pdbj.org/pdbjplus/data/cc/svg/97S.svg) | 97S | 表記: | 2-chloranyl-4-[[4-(ethylamino)-1,3-dimethyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile | 組成式: | C19 H18 Cl N5 O | SMILES: | CCNC1=C(C)C(=O)N(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12 | InChi: | InChI=1S/C19H18ClN5O/c1-4-22-17-11(2)19(26)25(3)16-6-5-12(9-13(16)17)24-15-7-8-23-18(20)14(15)10-21/h5-9,22H,4H2,1-3H3,(H,23,24) | 定義日: | 2021-11-10 | 最終更新日: | 2022-08-22 | 公開日: | 2022-06-15 | 識別子(ID): | 2-chloranyl-4-[[4-(ethylamino)-1,3-dimethyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile |
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![9FW 9FW](https://data.pdbj.org/pdbjplus/data/cc/svg/9FW.svg) | 9FW | 表記: | 2-chloranyl-4-[[(2S)-2,7-dimethyl-5,6-bis(oxidanylidene)-2,3-dihydro-1H-[1,4]oxazepino[6,5-c]quinolin-10-yl]amino]pyridine-3-carbonitrile | 組成式: | C20 H16 Cl N5 O3 | SMILES: | C[CH]1COC(=O)C2=C(N1)c3cc(Nc4ccnc(Cl)c4C#N)ccc3N(C)C2=O | InChi: | InChI=1S/C20H16ClN5O3/c1-10-9-29-20(28)16-17(24-10)12-7-11(3-4-15(12)26(2)19(16)27)25-14-5-6-23-18(21)13(14)8-22/h3-7,10,24H,9H2,1-2H3,(H,23,25)/t10-/m0/s1 | 定義日: | 2021-11-11 | 最終更新日: | 2022-08-22 | 公開日: | 2022-06-15 | 識別子(ID): | 2-chloranyl-4-[[(2~{S})-2,7-dimethyl-5,6-bis(oxidanylidene)-2,3-dihydro-1~{H}-[1,4]oxazepino[6,5-c]quinolin-10-yl]amino]pyridine-3-carbonitrile |
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![9GR 9GR](https://data.pdbj.org/pdbjplus/data/cc/svg/9GR.svg) | 9GR | 表記: | 2-chloranyl-4-[[(2R)-2-cyclopropyl-7-methyl-6-oxidanylidene-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile | 組成式: | C22 H20 Cl N5 O2 | SMILES: | CN1C(=O)C2=C(N[CH](CCO2)C3CC3)c4cc(Nc5ccnc(Cl)c5C#N)ccc14 | InChi: | InChI=1S/C22H20ClN5O2/c1-28-18-5-4-13(26-17-6-8-25-21(23)15(17)11-24)10-14(18)19-20(22(28)29)30-9-7-16(27-19)12-2-3-12/h4-6,8,10,12,16,27H,2-3,7,9H2,1H3,(H,25,26)/t16-/m1/s1 | 定義日: | 2021-11-11 | 最終更新日: | 2022-08-22 | 公開日: | 2022-06-15 | 識別子(ID): | 2-chloranyl-4-[[(2~{R})-2-cyclopropyl-7-methyl-6-oxidanylidene-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile |
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![9I2 9I2](https://data.pdbj.org/pdbjplus/data/cc/svg/9I2.svg) | 9I2 | 表記: | 4-[2-azanyl-8-[[(2~{S})-1-oxidanylpropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluoranyl-phenol | 組成式: | C19 H21 F N4 O2 | SMILES: | CCc1cc(O)c(F)cc1c2cc(N[CH](C)CO)c3nc(N)ncc3c2 | InChi: | InChI=1S/C19H21FN4O2/c1-3-11-6-17(26)15(20)7-14(11)12-4-13-8-22-19(21)24-18(13)16(5-12)23-10(2)9-25/h4-8,10,23,25-26H,3,9H2,1-2H3,(H2,21,22,24)/t10-/m0/s1 | 定義日: | 2021-11-11 | 最終更新日: | 2022-08-22 | 公開日: | 2022-02-02 | 識別子(ID): | 4-[2-azanyl-8-[[(2~{S})-1-oxidanylpropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluoranyl-phenol |
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![9I5 9I5](https://data.pdbj.org/pdbjplus/data/cc/svg/9I5.svg) | 9I5 | 表記: | 4-(2-azanyl-8-methoxy-quinazolin-6-yl)phenol | 組成式: | C15 H13 N3 O2 | SMILES: | COc1cc(cc2cnc(N)nc12)c3ccc(O)cc3 | InChi: | InChI=1S/C15H13N3O2/c1-20-13-7-10(9-2-4-12(19)5-3-9)6-11-8-17-15(16)18-14(11)13/h2-8,19H,1H3,(H2,16,17,18) | 定義日: | 2021-11-11 | 最終更新日: | 2022-08-22 | 公開日: | 2022-02-02 | 識別子(ID): | 4-(2-azanyl-8-methoxy-quinazolin-6-yl)phenol |
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