![A1AFH A1AFH](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AFH.svg) | A1AFH | 表記: | 7-ethoxy-1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}isoquinoline-6-carboxamide | 組成式: | C17 H19 N3 O4 | SMILES: | NC(=O)c1cc2ccnc(OCC3CCC(=O)N3)c2cc1OCC | InChi: | InChI=1S/C17H19N3O4/c1-2-23-14-8-12-10(7-13(14)16(18)22)5-6-19-17(12)24-9-11-3-4-15(21)20-11/h5-8,11H,2-4,9H2,1H3,(H2,18,22)(H,20,21)/t11-/m0/s1 | 定義日: | 2024-02-23 | 最終更新日: | 2024-04-26 | 公開日: | 2024-05-01 | 識別子(ID): | 7-ethoxy-1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}isoquinoline-6-carboxamide |
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![A1AFO A1AFO](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AFO.svg) | A1AFO | 表記: | 7-methoxy-1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}isoquinoline-6-carboxamide | 組成式: | C16 H17 N3 O4 | SMILES: | NC(=O)c1cc2ccnc(OCC3CCC(=O)N3)c2cc1OC | InChi: | InChI=1S/C16H17N3O4/c1-22-13-7-11-9(6-12(13)15(17)21)4-5-18-16(11)23-8-10-2-3-14(20)19-10/h4-7,10H,2-3,8H2,1H3,(H2,17,21)(H,19,20)/t10-/m0/s1 | 定義日: | 2024-02-23 | 最終更新日: | 2024-04-26 | 公開日: | 2024-05-01 | 識別子(ID): | 7-methoxy-1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}isoquinoline-6-carboxamide |
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![A1H6F A1H6F](https://data.pdbj.org/pdbjplus/data/cc/svg/A1H6F.svg) | A1H6F | 表記: | ~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-2-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-4-yl]ethanamine | 組成式: | C30 H32 Cl N3 O2 S | SMILES: | Cc1cnc2c(cccc2[S](=O)(=O)N3CCC(CCNCc4ccc(c(Cl)c4)c5ccccc5)CC3)c1 | InChi: | InChI=1S/C30H32ClN3O2S/c1-22-18-26-8-5-9-29(30(26)33-20-22)37(35,36)34-16-13-23(14-17-34)12-15-32-21-24-10-11-27(28(31)19-24)25-6-3-2-4-7-25/h2-11,18-20,23,32H,12-17,21H2,1H3 | 別名: | SCH66336 | 定義日: | 2024-03-20 | 最終更新日: | 2024-04-26 | 公開日: | 2024-05-01 | 識別子(ID): | ~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-2-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-4-yl]ethanamine |
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![ZQF ZQF](https://data.pdbj.org/pdbjplus/data/cc/svg/ZQF.svg) | ZQF | 表記: | 2-[(4-butylbenzene-1-sulfonyl)amino]-5-[(3-{4-[(4-butylbenzene-1-sulfonyl)amino]-3-carboxyanilino}-3-oxopropyl)carbamoyl]benzoic acid | 組成式: | C38 H42 N4 O10 S2 | SMILES: | O=S(=O)(Nc1ccc(NC(=O)CCNC(=O)c2ccc(NS(=O)(=O)c3ccc(CCCC)cc3)c(c2)C(=O)O)cc1C(=O)O)c1ccc(CCCC)cc1 | InChi: | InChI=1S/C38H42N4O10S2/c1-3-5-7-25-9-15-29(16-10-25)53(49,50)41-33-19-13-27(23-31(33)37(45)46)36(44)39-22-21-35(43)40-28-14-20-34(32(24-28)38(47)48)42-54(51,52)30-17-11-26(12-18-30)8-6-4-2/h9-20,23-24,41-42H,3-8,21-22H2,1-2H3,(H,39,44)(H,40,43)(H,45,46)(H,47,48) | 定義日: | 2023-03-20 | 最終更新日: | 2024-04-19 | 公開日: | 2024-04-24 | 識別子(ID): | 2-[(4-butylbenzene-1-sulfonyl)amino]-5-[(3-{4-[(4-butylbenzene-1-sulfonyl)amino]-3-carboxyanilino}-3-oxopropyl)carbamoyl]benzoic acid |
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![XS0 XS0](https://data.pdbj.org/pdbjplus/data/cc/svg/XS0.svg) | XS0 | 表記: | namodenoson | 組成式: | C18 H18 Cl I N6 O4 | SMILES: | CNC(=O)[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc23 | InChi: | InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1 | 別名: | (2~{S},3~{S},4~{R},5~{R})-5-[2-chloranyl-6-[(3-iodanylphenyl)methylamino]purin-9-yl]-~{N}-methyl-3,4-bis(oxidanyl)oxolane-2-carboxamide | 定義日: | 2023-11-09 | 最終更新日: | 2024-04-19 | 公開日: | 2024-04-24 | 識別子(ID): | (2~{S},3~{S},4~{R},5~{R})-5-[2-chloranyl-6-[(3-iodanylphenyl)methylamino]purin-9-yl]-~{N}-methyl-3,4-bis(oxidanyl)oxolane-2-carboxamide |
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![UEX UEX](https://data.pdbj.org/pdbjplus/data/cc/svg/UEX.svg) | UEX | 表記: | 6-chloranyl-3-[[(1R)-1-[2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3,6-dimethyl-4-oxidanylidene-quinazolin-8-yl]ethyl]amino]pyridine-2-carboxylic acid | 組成式: | C25 H23 Cl N6 O3 | SMILES: | C[CH](Nc1ccc(Cl)nc1C(O)=O)c2cc(C)cc3C(=O)N(C)C(=Nc23)N4Cc5ccncc5C4 | InChi: | InChI=1S/C25H23ClN6O3/c1-13-8-17(14(2)28-19-4-5-20(26)29-22(19)24(34)35)21-18(9-13)23(33)31(3)25(30-21)32-11-15-6-7-27-10-16(15)12-32/h4-10,14,28H,11-12H2,1-3H3,(H,34,35)/t14-/m1/s1 | 定義日: | 2023-09-08 | 最終更新日: | 2024-04-12 | 公開日: | 2024-04-17 | 識別子(ID): | 6-chloranyl-3-[[(1~{R})-1-[2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3,6-dimethyl-4-oxidanylidene-quinazolin-8-yl]ethyl]amino]pyridine-2-carboxylic acid |
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![SZO SZO](https://data.pdbj.org/pdbjplus/data/cc/svg/SZO.svg) | SZO | 表記: | 5-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazolin-4-one | 組成式: | C22 H18 N2 O4 | SMILES: | Cc1c(ccc2N=CN(C(=O)c12)c3ccccc3)C(=O)C4=C(O)CCCC4=O | InChi: | InChI=1S/C22H18N2O4/c1-13-15(21(27)20-17(25)8-5-9-18(20)26)10-11-16-19(13)22(28)24(12-23-16)14-6-3-2-4-7-14/h2-4,6-7,10-12,25H,5,8-9H2,1H3 | 定義日: | 2023-04-19 | 最終更新日: | 2024-04-12 | 公開日: | 2024-04-17 | 識別子(ID): | 5-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazolin-4-one |
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![WCK WCK](https://data.pdbj.org/pdbjplus/data/cc/svg/WCK.svg) | WCK | 表記: | (4P)-4-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[4-(morpholin-4-yl)phenyl]pyrimidin-2-amine | 組成式: | C18 H20 N6 O S | SMILES: | Cc1nc(N)sc1c1nc(Nc2ccc(cc2)N2CCOCC2)ncc1 | InChi: | InChI=1S/C18H20N6OS/c1-12-16(26-17(19)21-12)15-6-7-20-18(23-15)22-13-2-4-14(5-3-13)24-8-10-25-11-9-24/h2-7H,8-11H2,1H3,(H2,19,21)(H,20,22,23) | 定義日: | 2023-09-29 | 最終更新日: | 2024-04-12 | 公開日: | 2024-04-17 | 識別子(ID): | (4P)-4-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[4-(morpholin-4-yl)phenyl]pyrimidin-2-amine |
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![C74 C74](https://data.pdbj.org/pdbjplus/data/cc/svg/C74.svg) | C74 | 表記: | 4-[5-[3-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine | 組成式: | C16 H15 N4 O4 S | SMILES: | O=[S+](=O)Oc1cccc(c1)c2c[nH]c3ncnc(N4CCOCC4)c23 | InChi: | InChI=1S/C16H15N4O4S/c21-25(22)24-12-3-1-2-11(8-12)13-9-17-15-14(13)16(19-10-18-15)20-4-6-23-7-5-20/h1-3,8-10H,4-7H2,(H,17,18,19)/q+1 | 定義日: | 2023-05-23 | 最終更新日: | 2024-04-12 | 公開日: | 2024-04-17 | 識別子(ID): | 4-[5-[3-[bis(oxidanylidene)-$l^{5}-sulfanyl]oxyphenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine |
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![DQC DQC](https://data.pdbj.org/pdbjplus/data/cc/svg/DQC.svg) | DQC | 表記: | 7-nitro-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile | 組成式: | C9 H4 N4 O4 | SMILES: | [O-][N+](=O)c1c(C#N)cc2c(c1)NC(=O)C(=O)N2 | InChi: | InChI=1S/C9H4N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H,(H,11,14)(H,12,15) | 定義日: | 2008-01-03 | 最終更新日: | 2024-04-12 | 公開日: | 2024-04-17 | 識別子(ID): | 7-nitro-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile |
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![YF8 YF8](https://data.pdbj.org/pdbjplus/data/cc/svg/YF8.svg) | YF8 | 表記: | N-[8-(4-{[(1R,3R,4S)-4-(4-chlorophenyl)-1-methyl-3-{[4-(4-{[4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-(trifluoromethanesulfonyl)benzene-1-sulfonyl]carbamoyl}phenyl)piperazin-1-yl]methyl}cyclohexyl]methyl}piperazin-1-yl)-8-oxooctanoyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-{(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-L-prolinamide | 組成式: | C82 H104 Cl F3 N11 O11 S4 | SMILES: | O=S(=O)(c1cc(ccc1NC(CSc1ccccc1)CCN1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)CC=1CC(C)(CCC=1c1ccc(Cl)cc1)CN1CCN(CC1)C(=O)CCCCCCC(=O)NC(C(=O)N1CC(O)CC1C(=O)NC(C)c1ccc(cc1)c1scnc1C)C(C)(C)C)C(F)(F)F | InChi: | InChI=1S/C82H105ClF3N11O11S4/c1-56(58-18-20-60(21-19-58)75-57(2)87-55-110-75)88-78(102)71-48-66(98)52-97(71)79(103)76(80(3,4)5)90-73(99)16-12-7-8-13-17-74(100)96-42-38-94(39-43-96)54-81(6)34-32-69(59-22-26-63(83)27-23-59)62(50-81)51-93-36-40-95(41-37-93)65-28-24-61(25-29-65)77(101)91-112(106,107)68-30-31-70(72(49-68)111(104,105)82(84,85)86)89-64(33-35-92-44-46-108-47-45-92)53-109-67-14-10-9-11-15-67/h9-11,14-15,18-31,49,55-56,64,66,71,76,89,98H,7-8,12-13,16-17,32-48,50-54H2,1-6H3,(H,88,102)(H,90,99)(H,91,101)/t56-,64+,66+,71-,76+,81+/m0/s1 | 定義日: | 2023-01-26 | 最終更新日: | 2024-04-05 | 公開日: | 2024-04-10 | 識別子(ID): | N-[8-(4-{[(4R)-4'-chloro-4-methyl-6-{[4-(4-{[4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-(trifluoromethanesulfonyl)benzene-1-sulfonyl]carbamoyl}phenyl)piperazin-1-yl]methyl}-2,3,4,5-tetrahydro[1,1'-biphenyl]-4-yl]methyl}piperazin-1-yl)-8-oxooctanoyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-{(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-L-prolinamide |
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![YFH YFH](https://data.pdbj.org/pdbjplus/data/cc/svg/YFH.svg) | YFH | 表記: | N-({4-[2-(4-{[(4R)-4'-chloro-4-methyl-6-{[4-(4-{[4-{[(2R)-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-1-(phenylsulfanyl)butan-2-yl]amino}-3-(trifluoromethanesulfonyl)benzene-1-sulfonyl]carbamoyl}phenyl)piperazin-1-yl]methyl}-2,3,4,5-tetrahydro[1,1'-biphenyl]-4-yl]methyl}piperazin-1-yl)-2-oxoethyl]piperazin-1-yl}acetyl)-3-methyl-L-valyl-(4S)-4-hydroxy-N-{(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-L-prolinamide | 組成式: | C83 H105 Cl F3 N13 O11 S4 | SMILES: | O=S(=O)(c1cc(ccc1NC(CSc1ccccc1)CCN1CC2CC1CO2)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)CC=1CC(C)(CCC=1c1ccc(Cl)cc1)CN1CCN(CC1)C(=O)CN1CCN(CC1)CC(=O)NC(C(=O)N1CC(O)CC1C(=O)NC(C)c1ccc(cc1)c1scnc1C)C(C)(C)C)C(F)(F)F | InChi: | InChI=1S/C83H105ClF3N13O11S4/c1-55(57-12-14-59(15-13-57)76-56(2)88-54-113-76)89-79(105)72-43-66(101)47-100(72)80(106)77(81(3,4)5)91-74(102)49-94-30-32-95(33-31-94)50-75(103)98-40-36-96(37-41-98)53-82(6)28-26-70(58-16-20-62(84)21-17-58)61(45-82)46-93-34-38-97(39-35-93)64-22-18-60(19-23-64)78(104)92-115(109,110)69-24-25-71(73(44-69)114(107,108)83(85,86)87)90-63(52-112-68-10-8-7-9-11-68)27-29-99-48-67-42-65(99)51-111-67/h7-25,44,54-55,63,65-67,72,77,90,101H,26-43,45-53H2,1-6H3,(H,89,105)(H,91,102)(H,92,104)/t55-,63+,65+,66-,67+,72-,77+,82+/m0/s1 | 定義日: | 2023-01-26 | 最終更新日: | 2024-04-05 | 公開日: | 2024-04-10 | 識別子(ID): | N-({4-[2-(4-{[(4R)-4'-chloro-4-methyl-6-{[4-(4-{[4-{[(2R)-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-1-(phenylsulfanyl)butan-2-yl]amino}-3-(trifluoromethanesulfonyl)benzene-1-sulfonyl]carbamoyl}phenyl)piperazin-1-yl]methyl}-2,3,4,5-tetrahydro[1,1'-biphenyl]-4-yl]methyl}piperazin-1-yl)-2-oxoethyl]piperazin-1-yl}acetyl)-3-methyl-L-valyl-(4S)-4-hydroxy-N-{(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-L-prolinamide |
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![A1LVT A1LVT](https://data.pdbj.org/pdbjplus/data/cc/svg/A1LVT.svg) | A1LVT | 表記: | 5-amino-2-((6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino)-8-(2-(trifluoromethyl)benzyl)pyrido[2,3-d]pyrimidin-7(8H)-one | 組成式: | C26 H25 F3 N6 O2 | SMILES: | COc1cc2CCN(C)Cc2cc1Nc3ncc4C(=CC(=O)N(Cc5ccccc5C(F)(F)F)c4n3)N | InChi: | InChI=1S/C26H25F3N6O2/c1-34-8-7-15-10-22(37-2)21(9-17(15)13-34)32-25-31-12-18-20(30)11-23(36)35(24(18)33-25)14-16-5-3-4-6-19(16)26(27,28)29/h3-6,9-12H,7-8,13-14,30H2,1-2H3,(H,31,32,33) | 定義日: | 2024-01-05 | 最終更新日: | 2024-04-05 | 公開日: | 2024-04-10 | 識別子(ID): | 5-azanyl-2-[(6-methoxy-2-methyl-3,4-dihydro-1~{H}-isoquinolin-7-yl)amino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one |
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![A1LVW A1LVW](https://data.pdbj.org/pdbjplus/data/cc/svg/A1LVW.svg) | A1LVW | 表記: | Lys01 | 組成式: | C23 H23 Cl2 N5 | SMILES: | CN(CCNc1ccnc2cc(Cl)ccc12)CCNc3ccnc4cc(Cl)ccc34 | InChi: | InChI=1S/C23H23Cl2N5/c1-30(12-10-28-20-6-8-26-22-14-16(24)2-4-18(20)22)13-11-29-21-7-9-27-23-15-17(25)3-5-19(21)23/h2-9,14-15H,10-13H2,1H3,(H,26,28)(H,27,29) | 別名: | ~{N}-(7-chloranylquinolin-4-yl)-~{N}'-[2-[(7-chloranylquinolin-4-yl)amino]ethyl]-~{N}'-methyl-ethane-1,2-diamine | 定義日: | 2024-01-09 | 最終更新日: | 2024-04-05 | 公開日: | 2024-04-10 | 識別子(ID): | ~{N}-(7-chloranylquinolin-4-yl)-~{N}'-[2-[(7-chloranylquinolin-4-yl)amino]ethyl]-~{N}'-methyl-ethane-1,2-diamine |
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![VK0 VK0](https://data.pdbj.org/pdbjplus/data/cc/svg/VK0.svg) | VK0 | 表記: | 2-[(~{E})-[6-(4-methoxyphenyl)-1-methyl-quinolin-4-ylidene]methyl]-3-methyl-1,3-benzothiazole | 組成式: | C26 H23 N2 O S | SMILES: | COc1ccc(cc1)c1ccc2c(c1)C(C=CN2C)=Cc1sc2ccccc2[n+]1C | InChi: | InChI=1S/C26H23N2OS/c1-27-15-14-20(17-26-28(2)24-6-4-5-7-25(24)30-26)22-16-19(10-13-23(22)27)18-8-11-21(29-3)12-9-18/h4-17H,1-3H3/q+1 | 定義日: | 2023-09-13 | 最終更新日: | 2024-03-22 | 公開日: | 2024-03-27 | 識別子(ID): | 2-{(E)-[6-(4-methoxyphenyl)-1-methylquinolin-4(1H)-ylidene]methyl}-3-methyl-1,3-benzothiazol-3-ium |
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![VKI VKI](https://data.pdbj.org/pdbjplus/data/cc/svg/VKI.svg) | VKI | 表記: | 3-[2,16-dioxo-20-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-6,9,12-trioxa-3,15-diazaicosan-1-yl]-2-{(E)-[6-(4-methoxyphenyl)-1-methylquinolin-4(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium | 組成式: | C45 H55 N6 O7 S2 | SMILES: | O=C1NC2C(CCCCC(=O)NCCOCCOCCOCCNC(=O)C[n+]3c4ccccc4sc3/C=C3C=CN(C)c4ccc(cc43)c3ccc(OC)cc3)SCC2N1 | InChi: | InChI=1S/C45H54N6O7S2/c1-50-20-17-33(35-27-32(13-16-37(35)50)31-11-14-34(55-2)15-12-31)28-43-51(38-7-3-4-8-39(38)60-43)29-42(53)47-19-22-57-24-26-58-25-23-56-21-18-46-41(52)10-6-5-9-40-44-36(30-59-40)48-45(54)49-44/h3-4,7-8,11-17,20,27-28,36,40,44H,5-6,9-10,18-19,21-26,29-30H2,1-2H3,(H3-,46,47,48,49,52,53,54)/p+1 | 定義日: | 2023-09-13 | 最終更新日: | 2024-03-22 | 公開日: | 2024-03-27 | 識別子(ID): | 3-[2,16-dioxo-20-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-6,9,12-trioxa-3,15-diazaicosan-1-yl]-2-{(E)-[6-(4-methoxyphenyl)-1-methylquinolin-4(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium |
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![WZR WZR](https://data.pdbj.org/pdbjplus/data/cc/svg/WZR.svg) | WZR | 表記: | (4~{R})-7-oxidanyl-4-phenyl-3,4-dihydro-1~{H}-quinolin-2-one | 組成式: | C15 H13 N O2 | SMILES: | Oc1ccc2[CH](CC(=O)Nc2c1)c3ccccc3 | InChi: | InChI=1S/C15H13NO2/c17-11-6-7-12-13(10-4-2-1-3-5-10)9-15(18)16-14(12)8-11/h1-8,13,17H,9H2,(H,16,18)/t13-/m1/s1 | 定義日: | 2023-10-17 | 最終更新日: | 2024-03-22 | 公開日: | 2024-03-27 | 識別子(ID): | (4~{R})-7-oxidanyl-4-phenyl-3,4-dihydro-1~{H}-quinolin-2-one |
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![UPO UPO](https://data.pdbj.org/pdbjplus/data/cc/svg/UPO.svg) | UPO | 表記: | 4-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-amine | 組成式: | C22 H24 N4 O3 | SMILES: | COc1cccc(c1)c2cc(nc(N)n2)N3CCc4cc(OC)c(OC)cc4C3 | InChi: | InChI=1S/C22H24N4O3/c1-27-17-6-4-5-15(9-17)18-12-21(25-22(23)24-18)26-8-7-14-10-19(28-2)20(29-3)11-16(14)13-26/h4-6,9-12H,7-8,13H2,1-3H3,(H2,23,24,25) | 定義日: | 2023-06-14 | 最終更新日: | 2024-03-22 | 公開日: | 2024-03-27 | 識別子(ID): | 4-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-amine |
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![WZX WZX](https://data.pdbj.org/pdbjplus/data/cc/svg/WZX.svg) | WZX | 表記: | ethyl 2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethanoate | 組成式: | C12 H14 N2 O3 | SMILES: | CCOC(=O)CN1CC(=O)Nc2ccccc12 | InChi: | InChI=1S/C12H14N2O3/c1-2-17-12(16)8-14-7-11(15)13-9-5-3-4-6-10(9)14/h3-6H,2,7-8H2,1H3,(H,13,15) | 定義日: | 2023-10-17 | 最終更新日: | 2024-03-22 | 公開日: | 2024-03-27 | 識別子(ID): | ethyl 2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethanoate |
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![X0H X0H](https://data.pdbj.org/pdbjplus/data/cc/svg/X0H.svg) | X0H | 表記: | methyl 2-(2-oxidanylidene-1~{H}-quinolin-4-yl)ethanoate | 組成式: | C12 H11 N O3 | SMILES: | COC(=O)CC1=CC(=O)Nc2ccccc12 | InChi: | InChI=1S/C12H11NO3/c1-16-12(15)7-8-6-11(14)13-10-5-3-2-4-9(8)10/h2-6H,7H2,1H3,(H,13,14) | 定義日: | 2023-10-17 | 最終更新日: | 2024-03-22 | 公開日: | 2024-03-27 | 識別子(ID): | methyl 2-(2-oxidanylidene-1~{H}-quinolin-4-yl)ethanoate |
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![X0L X0L](https://data.pdbj.org/pdbjplus/data/cc/svg/X0L.svg) | X0L | 表記: | 4-[(4-methylphenyl)methyl]-1~{H}-quinoxaline-2,3-dione | 組成式: | C16 H14 N2 O2 | SMILES: | Cc1ccc(CN2C(=O)C(=O)Nc3ccccc23)cc1 | InChi: | InChI=1S/C16H14N2O2/c1-11-6-8-12(9-7-11)10-18-14-5-3-2-4-13(14)17-15(19)16(18)20/h2-9H,10H2,1H3,(H,17,19) | 定義日: | 2023-10-17 | 最終更新日: | 2024-03-22 | 公開日: | 2024-03-27 | 識別子(ID): | 4-[(4-methylphenyl)methyl]-1~{H}-quinoxaline-2,3-dione |
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![VLR VLR](https://data.pdbj.org/pdbjplus/data/cc/svg/VLR.svg) | VLR | 表記: | 3-{2,16-dioxo-20-[(3aS,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-2-{(E)-[6-(4-methoxyphenyl)-1-methylquinolin-4(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium | 組成式: | C45 H55 N6 O7 S2 | SMILES: | O=C1NC2C(CCCCC(=O)NCCOCCOCCOCCNC(=O)C[n+]3c4ccccc4sc3/C=C3C=CN(C)c4ccc(cc43)c3ccc(OC)cc3)SCC2N1 | InChi: | InChI=1S/C45H54N6O7S2/c1-50-20-17-33(35-27-32(13-16-37(35)50)31-11-14-34(55-2)15-12-31)28-43-51(38-7-3-4-8-39(38)60-43)29-42(53)47-19-22-57-24-26-58-25-23-56-21-18-46-41(52)10-6-5-9-40-44-36(30-59-40)48-45(54)49-44/h3-4,7-8,11-17,20,27-28,36,40,44H,5-6,9-10,18-19,21-26,29-30H2,1-2H3,(H3-,46,47,48,49,52,53,54)/p+1/t36-,40-,44+/m1/s1 | 定義日: | 2023-09-13 | 最終更新日: | 2024-03-22 | 公開日: | 2024-03-27 | 識別子(ID): | 3-{2,16-dioxo-20-[(3aS,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-2-{(E)-[6-(4-methoxyphenyl)-1-methylquinolin-4(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium |
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![VN9 VN9](https://data.pdbj.org/pdbjplus/data/cc/svg/VN9.svg) | VN9 | 表記: | 3,4-dihydro-1~{H}-quinolin-2-one | 組成式: | C9 H9 N O | SMILES: | O=C1CCc2ccccc2N1 | InChi: | InChI=1S/C9H9NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-4H,5-6H2,(H,10,11) | 定義日: | 2023-03-20 | 最終更新日: | 2024-03-22 | 公開日: | 2024-03-27 | 識別子(ID): | 3,4-dihydro-1~{H}-quinolin-2-one |
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![W6F W6F](https://data.pdbj.org/pdbjplus/data/cc/svg/W6F.svg) | W6F | 表記: | 2-[(E)-(1,7-dimethylquinolin-4(1H)-ylidene)methyl]-3-{2,16-dioxo-20-[(3aR,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-1,3-benzothiazol-3-ium | 組成式: | C39 H51 N6 O6 S2 | SMILES: | O=C1NC2C(CCCCC(=O)NCCOCCOCCOCCNC(=O)C[n+]3c4ccccc4sc3/C=C3C=CN(C)c4cc(C)ccc43)SCC2N1 | InChi: | InChI=1S/C39H50N6O6S2/c1-27-11-12-29-28(13-16-44(2)32(29)23-27)24-37-45(31-7-3-4-8-33(31)53-37)25-36(47)41-15-18-50-20-22-51-21-19-49-17-14-40-35(46)10-6-5-9-34-38-30(26-52-34)42-39(48)43-38/h3-4,7-8,11-13,16,23-24,30,34,38H,5-6,9-10,14-15,17-22,25-26H2,1-2H3,(H3-,40,41,42,43,46,47,48)/p+1/t30-,34-,38?/m0/s1 | 定義日: | 2023-09-25 | 最終更新日: | 2024-03-22 | 公開日: | 2024-03-27 | 識別子(ID): | 2-[(E)-(1,7-dimethylquinolin-4(1H)-ylidene)methyl]-3-{2,16-dioxo-20-[(3aR,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-1,3-benzothiazol-3-ium |
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![VFI VFI](https://data.pdbj.org/pdbjplus/data/cc/svg/VFI.svg) | VFI | 表記: | 4-[8-methoxy-2-methyl-1-(1-phenylethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole | 組成式: | C25 H24 N4 O2 | SMILES: | COc1cc2c(cc1c3c(C)onc3C)ncc4nc(C)n([CH](C)c5ccccc5)c24 | InChi: | InChI=1S/C25H24N4O2/c1-14-24(16(3)31-28-14)20-11-21-19(12-23(20)30-5)25-22(13-26-21)27-17(4)29(25)15(2)18-9-7-6-8-10-18/h6-13,15H,1-5H3/t15-/m1/s1 | 定義日: | 2023-07-22 | 最終更新日: | 2024-03-22 | 公開日: | 2024-03-27 | 識別子(ID): | 4-[8-methoxy-2-methyl-1-(1-phenylethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole |
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