![Y3C Y3C](https://data.pdbj.org/pdbjplus/data/cc/svg/Y3C.svg) | Y3C | Name: | (2~{S})-5-azanyl-5-oxidanylidene-2-[[(2~{S})-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)-3-phenyl-propanoyl]amino]pentanoic acid | Formula: | C22 H23 N3 O5 | SMILES: | NC(=O)CC[CH](NC(=O)[CH](Cc1ccccc1)N2Cc3ccccc3C2=O)C(O)=O | InChi: | InChI=1S/C22H23N3O5/c23-19(26)11-10-17(22(29)30)24-20(27)18(12-14-6-2-1-3-7-14)25-13-15-8-4-5-9-16(15)21(25)28/h1-9,17-18H,10-13H2,(H2,23,26)(H,24,27)(H,29,30)/t17-,18-/m0/s1 | Definition date: | 2023-11-16 | Last modified: | 2024-01-12 | Release date: | 2024-01-17 | Identifier: | (2~{S})-5-azanyl-5-oxidanylidene-2-[[(2~{S})-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)-3-phenyl-propanoyl]amino]pentanoic acid |
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![TQ0 TQ0](https://data.pdbj.org/pdbjplus/data/cc/svg/TQ0.svg) | TQ0 | Name: | (2,4-dimethylphenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone | Formula: | C16 H16 N O5 | SMILES: | COc1cc(cc(c1O)[N+](O)=O)C(=O)c2ccc(C)cc2C | InChi: | InChI=1S/C16H15NO5/c1-9-4-5-12(10(2)6-9)15(18)11-7-13(17(20)21)16(19)14(8-11)22-3/h4-8H,1-3H3,(H-,18,19,20,21)/p+1 | Definition date: | 2023-01-12 | Last modified: | 2024-01-12 | Release date: | 2024-01-17 | Identifier: | [5-(2,4-dimethylphenyl)carbonyl-3-methoxy-2-oxidanyl-phenyl]-oxidanyl-oxidanylidene-azanium |
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![WQR WQR](https://data.pdbj.org/pdbjplus/data/cc/svg/WQR.svg) | WQR | Name: | 3beta-hydroxy-10alpha,13alpha-lanosta-8,24-dien-30-al | Formula: | C30 H48 O2 | SMILES: | C/C(C)=CCCC(C)C1CCC2(C=O)C=3CCC4C(C)(CCC(O)C4(C)C)C=3CCC12C | InChi: | InChI=1S/C30H48O2/c1-20(2)9-8-10-21(3)22-14-18-30(19-31)24-11-12-25-27(4,5)26(32)15-16-28(25,6)23(24)13-17-29(22,30)7/h9,19,21-22,25-26,32H,8,10-18H2,1-7H3/t21-,22-,25+,26+,28-,29-,30-/m1/s1 | Definition date: | 2023-05-15 | Last modified: | 2024-01-12 | Release date: | 2024-01-17 | Identifier: | 3beta-hydroxy-10alpha,13alpha-lanosta-8,24-dien-30-al |
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![WQW WQW](https://data.pdbj.org/pdbjplus/data/cc/svg/WQW.svg) | WQW | Name: | 3-chloranyl-2,6-di(piperazin-4-ium-1-yl)quinoline | Formula: | C17 H24 Cl N5 | SMILES: | Clc1cc2cc(ccc2nc1N3CC[NH2+]CC3)N4CC[NH2+]CC4 | InChi: | InChI=1S/C17H22ClN5/c18-15-12-13-11-14(22-7-3-19-4-8-22)1-2-16(13)21-17(15)23-9-5-20-6-10-23/h1-2,11-12,19-20H,3-10H2/p+2 | Definition date: | 2023-05-17 | Last modified: | 2024-01-12 | Release date: | 2024-01-17 | Identifier: | 3-chloranyl-2,6-di(piperazin-4-ium-1-yl)quinoline |
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![WR6 WR6](https://data.pdbj.org/pdbjplus/data/cc/svg/WR6.svg) | WR6 | Name: | [(2~{R})-1-[[(2~{R})-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-3-undecanoyloxy-propan-2-yl] tricosanoate | Formula: | C40 H79 O10 P | SMILES: | CCCCCCCCCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCC)CO[P](O)(=O)OC[CH](O)CO | InChi: | InChI=1S/C40H79O10P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-12-10-8-6-4-2/h37-38,41-42H,3-36H2,1-2H3,(H,45,46)/t37-,38-/m1/s1 | Definition date: | 2023-05-17 | Last modified: | 2024-01-12 | Release date: | 2024-01-17 | Identifier: | [(2~{R})-1-[[(2~{R})-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-3-undecanoyloxy-propan-2-yl] tricosanoate |
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![Y5E Y5E](https://data.pdbj.org/pdbjplus/data/cc/svg/Y5E.svg) | Y5E | Name: | mepyramine | Formula: | C17 H23 N3 O | SMILES: | COc1ccc(CN(CCN(C)C)c2ccccn2)cc1 | InChi: | InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3 | Synonyms: | ~{N}'-[(4-methoxyphenyl)methyl]-~{N},~{N}-dimethyl-~{N}'-pyridin-2-yl-ethane-1,2-diamine | Definition date: | 2023-11-21 | Last modified: | 2024-01-12 | Release date: | 2024-01-17 | Identifier: | ~{N}'-[(4-methoxyphenyl)methyl]-~{N},~{N}-dimethyl-~{N}'-pyridin-2-yl-ethane-1,2-diamine |
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![Y5N Y5N](https://data.pdbj.org/pdbjplus/data/cc/svg/Y5N.svg) | Y5N | Name: | 3-chloranyl-~{N}-[(1~{S})-1-(6-chloranylpyridin-3-yl)-2-phenyl-ethyl]aniline | Formula: | C19 H16 Cl2 N2 | SMILES: | Clc1cccc(N[CH](Cc2ccccc2)c3ccc(Cl)nc3)c1 | InChi: | InChI=1S/C19H16Cl2N2/c20-16-7-4-8-17(12-16)23-18(11-14-5-2-1-3-6-14)15-9-10-19(21)22-13-15/h1-10,12-13,18,23H,11H2/t18-/m0/s1 | Definition date: | 2023-11-21 | Last modified: | 2024-01-12 | Release date: | 2024-01-17 | Identifier: | 3-chloranyl-~{N}-[(1~{S})-1-(6-chloranylpyridin-3-yl)-2-phenyl-ethyl]aniline |
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![Y5R Y5R](https://data.pdbj.org/pdbjplus/data/cc/svg/Y5R.svg) | Y5R | Name: | desloratadine | Formula: | C19 H19 Cl N2 | SMILES: | Clc1ccc2c(CCc3cccnc3C2=C4CCNCC4)c1 | InChi: | InChI=1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2 | Synonyms: | 13-chloranyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaene | Definition date: | 2023-11-21 | Last modified: | 2024-01-12 | Release date: | 2024-01-17 | Identifier: | 13-chloranyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaene |
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![Y9D Y9D](https://data.pdbj.org/pdbjplus/data/cc/svg/Y9D.svg) | Y9D | Name: | 1-[7-[6-ethenyl-8-ethoxy-7-(5-methyl-1~{H}-indazol-4-yl)-2-(1-methylpiperidin-4-yl)oxy-quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one | Formula: | C36 H45 N7 O3 | SMILES: | CCOc1c2nc(OC3CCN(C)CC3)nc(N4CCC5(CC4)CN(C5)C(=O)CC)c2cc(C=C)c1c6c(C)ccc7[nH]ncc67 | InChi: | InChI=1S/C36H45N7O3/c1-6-24-19-26-32(33(45-8-3)31(24)30-23(4)9-10-28-27(30)20-37-40-28)38-35(46-25-11-15-41(5)16-12-25)39-34(26)42-17-13-36(14-18-42)21-43(22-36)29(44)7-2/h6,9-10,19-20,25H,1,7-8,11-18,21-22H2,2-5H3,(H,37,40) | Definition date: | 2023-11-28 | Last modified: | 2024-01-12 | Release date: | 2024-01-17 | Identifier: | 1-[7-[6-ethenyl-8-ethoxy-7-(5-methyl-1~{H}-indazol-4-yl)-2-(1-methylpiperidin-4-yl)oxy-quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one |
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![ZUD ZUD](https://data.pdbj.org/pdbjplus/data/cc/svg/ZUD.svg) | ZUD | Name: | Udenafil | Formula: | C25 H36 N6 O4 S | SMILES: | CN1CCCC1CCNS(=O)(=O)c1cc(C2=NC(=O)c3c(N2)c(nn3C)CCC)c(OCCC)cc1 | InChi: | InChI=1S/C25H36N6O4S/c1-5-8-20-22-23(31(4)29-20)25(32)28-24(27-22)19-16-18(10-11-21(19)35-15-6-2)36(33,34)26-13-12-17-9-7-14-30(17)3/h10-11,16-17,26H,5-9,12-15H2,1-4H3,(H,27,28,32)/t17-/m1/s1 | Synonyms: | (3P)-3-(1-methyl-7-oxo-3-propyl-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-{2-[(2R)-1-methylpyrrolidin-2-yl]ethyl}-4-propoxybenzene-1-sulfonamide | Definition date: | 2023-10-06 | Last modified: | 2024-01-12 | Release date: | 2024-01-17 | Identifier: | (3P)-3-(1-methyl-7-oxo-3-propyl-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-{2-[(2R)-1-methylpyrrolidin-2-yl]ethyl}-4-propoxybenzene-1-sulfonamide |
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![WCH WCH](https://data.pdbj.org/pdbjplus/data/cc/svg/WCH.svg) | WCH | Name: | (2S,3S,4R,5R)-5-(6-amino-2-((E)-phenyldiazenyl)-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide | Formula: | C18 H20 N8 O4 | SMILES: | CCNC(=O)[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)nc(N=Nc4ccccc4)nc23 | InChi: | InChI=1S/C18H20N8O4/c1-2-20-16(29)13-11(27)12(28)17(30-13)26-8-21-10-14(19)22-18(23-15(10)26)25-24-9-6-4-3-5-7-9/h3-8,11-13,17,27-28H,2H2,1H3,(H,20,29)(H2,19,22,23)/b25-24+/t11-,12+,13-,17+/m0/s1 | Definition date: | 2023-09-26 | Last modified: | 2024-01-12 | Release date: | 2024-01-17 | Identifier: | (2~{S},3~{S},4~{R},5~{R})-5-[6-azanyl-2-[(~{E})-phenyldiazenyl]purin-9-yl]-~{N}-ethyl-3,4-bis(oxidanyl)oxolane-2-carboxamide |
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![YA6 YA6](https://data.pdbj.org/pdbjplus/data/cc/svg/YA6.svg) | YA6 | Name: | N-{(4P)-4-[(4P)-5-{3-[(8-fluoro-11-oxo-5,11-dihydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)methyl]phenyl}-2-(methylsulfanyl)-1H-imidazol-4-yl]pyridin-2-yl}acetamide | Formula: | C31 H25 F N6 O2 S | SMILES: | CC(=O)Nc1nccc(c1)c1nc(SC)[NH]c1c1cccc(c1)CN1c2cc(F)ccc2Nc2ccccc2C1=O | InChi: | InChI=1S/C31H25FN6O2S/c1-18(39)34-27-15-21(12-13-33-27)29-28(36-31(37-29)41-2)20-7-5-6-19(14-20)17-38-26-16-22(32)10-11-25(26)35-24-9-4-3-8-23(24)30(38)40/h3-16,35H,17H2,1-2H3,(H,36,37)(H,33,34,39) | Definition date: | 2023-01-19 | Last modified: | 2024-01-12 | Release date: | 2024-01-17 | Identifier: | N-{(4P)-4-[(4P)-5-{3-[(8-fluoro-11-oxo-5,11-dihydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)methyl]phenyl}-2-(methylsulfanyl)-1H-imidazol-4-yl]pyridin-2-yl}acetamide |
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![YAA YAA](https://data.pdbj.org/pdbjplus/data/cc/svg/YAA.svg) | YAA | Name: | N-{(3P)-3-[(4P)-4-(2-acetamidopyridin-4-yl)-2-(methylsulfanyl)-1H-imidazol-5-yl]phenyl}-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepine-9-carboxamide | Formula: | C31 H25 N7 O3 S | SMILES: | CC(=O)Nc1nccc(c1)c1nc(SC)[NH]c1c1cc(ccc1)NC(=O)c1cccc2Nc3ccccc3C(=O)Nc12 | InChi: | InChI=1S/C31H25N7O3S/c1-17(39)33-25-16-19(13-14-32-25)27-26(37-31(38-27)42-2)18-7-5-8-20(15-18)34-30(41)22-10-6-12-24-28(22)36-29(40)21-9-3-4-11-23(21)35-24/h3-16,35H,1-2H3,(H,34,41)(H,36,40)(H,37,38)(H,32,33,39) | Definition date: | 2023-01-19 | Last modified: | 2024-01-12 | Release date: | 2024-01-17 | Identifier: | N-{(3P)-3-[(4P)-4-(2-acetamidopyridin-4-yl)-2-(methylsulfanyl)-1H-imidazol-5-yl]phenyl}-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepine-9-carboxamide |
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![VWX VWX](https://data.pdbj.org/pdbjplus/data/cc/svg/VWX.svg) | VWX | Name: | [[(2~{R},3~{R},4~{R},5~{R})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-5-(6-oxidanylidene-1~{H}-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | Formula: | C20 H27 N9 O20 P4 | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[CH]4[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O[CH]4n5cnc6C(=O)NC=Nc56)[CH](O)[CH]3O | InChi: | InChI=1S/C20H27N9O20P4/c21-15-9-16(23-3-22-15)28(5-26-9)19-13(32)11(30)7(45-19)1-43-51(37,38)47-14-12(31)8(2-44-52(39,40)49-53(41,42)48-50(34,35)36)46-20(14)29-6-27-10-17(29)24-4-25-18(10)33/h3-8,11-14,19-20,30-32H,1-2H2,(H,37,38)(H,39,40)(H,41,42)(H2,21,22,23)(H,24,25,33)(H2,34,35,36)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1 | Definition date: | 2022-09-02 | Last modified: | 2024-01-12 | Release date: | 2024-01-17 | Identifier: | [[(2~{R},3~{R},4~{R},5~{R})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-5-(6-oxidanylidene-1~{H}-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
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![WEW WEW](https://data.pdbj.org/pdbjplus/data/cc/svg/WEW.svg) | WEW | Name: | (3~{R})-1-[[4-[2-chloranyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-2-methoxy-phenyl]methyl]-~{N}-(2-hydroxyethyl)pyrrolidine-3-carboxamide | Formula: | C29 H31 Cl N2 O5 | SMILES: | COc1cc(ccc1CN2CC[CH](C2)C(=O)NCCO)c3cccc(c3Cl)c4ccc5OCCOc5c4 | InChi: | InChI=1S/C29H31ClN2O5/c1-35-26-15-19(5-6-21(26)17-32-11-9-22(18-32)29(34)31-10-12-33)23-3-2-4-24(28(23)30)20-7-8-25-27(16-20)37-14-13-36-25/h2-8,15-16,22,33H,9-14,17-18H2,1H3,(H,31,34)/t22-/m1/s1 | Definition date: | 2023-05-12 | Last modified: | 2024-01-12 | Release date: | 2024-01-17 | Identifier: | (3~{R})-1-[[4-[2-chloranyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-2-methoxy-phenyl]methyl]-~{N}-(2-hydroxyethyl)pyrrolidine-3-carboxamide |
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![O5L O5L](https://data.pdbj.org/pdbjplus/data/cc/svg/O5L.svg) | O5L | Name: | N1-[[4-(4-aminophenyl)sulfanyl-3-(trifluoromethyl)phenyl]methoxy]benzene-1,4-dicarboxamide | Formula: | C22 H18 F3 N3 O3 S | SMILES: | NC(=O)c1ccc(cc1)C(=O)NOCc2ccc(Sc3ccc(N)cc3)c(c2)C(F)(F)F | InChi: | InChI=1S/C22H18F3N3O3S/c23-22(24,25)18-11-13(1-10-19(18)32-17-8-6-16(26)7-9-17)12-31-28-21(30)15-4-2-14(3-5-15)20(27)29/h1-11H,12,26H2,(H2,27,29)(H,28,30) | Definition date: | 2023-01-24 | Last modified: | 2024-01-12 | Release date: | 2024-01-17 | Identifier: | ~{N}1-[[4-(4-aminophenyl)sulfanyl-3-(trifluoromethyl)phenyl]methoxy]benzene-1,4-dicarboxamide |
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![A1H02 A1H02](https://data.pdbj.org/pdbjplus/data/cc/svg/A1H02.svg) | A1H02 | Name: | 2-[4-chloranyl-9-oxidanylidene-12-(2-oxidanylpropan-2-yl)-5-thia-1,10,11-triazatricyclo[6.4.0.0^{2,6}]dodeca-2(6),3,7,11-tetraen-10-yl]-~{N}-[(3~{R})-1-methylpiperidin-3-yl]ethanamide | Formula: | C19 H24 Cl N5 O3 S | SMILES: | CN1CCC[CH](C1)NC(=O)CN2N=C(n3c(cc4sc(Cl)cc34)C2=O)C(C)(C)O | InChi: | InChI=1S/C19H24ClN5O3S/c1-19(2,28)18-22-24(10-16(26)21-11-5-4-6-23(3)9-11)17(27)13-7-14-12(25(13)18)8-15(20)29-14/h7-8,11,28H,4-6,9-10H2,1-3H3,(H,21,26) | Definition date: | 2023-12-20 | Last modified: | 2024-01-12 | Release date: | 2024-01-17 | Identifier: | 2-[4-chloranyl-9-oxidanylidene-12-(2-oxidanylpropan-2-yl)-5-thia-1,10,11-triazatricyclo[6.4.0.0^{2,6}]dodeca-2(6),3,7,11-tetraen-10-yl]-~{N}-[(3~{R})-1-methylpiperidin-3-yl]ethanamide |
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![M8R M8R](https://data.pdbj.org/pdbjplus/data/cc/svg/M8R.svg) | M8R | Name: | (2~{S})-2-(9~{H}-fluoren-9-ylmethoxycarbonylamino)-3-(4-oxidanylidene-5~{H}-pyrimidin-2-yl)propanoic acid | Formula: | C22 H19 N3 O5 | SMILES: | OC(=O)[CH](CC1=NC(=O)CC=N1)NC(=O)OCC2c3ccccc3c4ccccc24 | InChi: | InChI=1S/C22H19N3O5/c26-20-9-10-23-19(25-20)11-18(21(27)28)24-22(29)30-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,10,17-18H,9,11-12H2,(H,24,29)(H,27,28)/t18-/m0/s1 | Definition date: | 2022-12-23 | Last modified: | 2024-01-12 | Release date: | 2024-01-17 | Identifier: | (2~{S})-2-(9~{H}-fluoren-9-ylmethoxycarbonylamino)-3-(4-oxidanylidene-5~{H}-pyrimidin-2-yl)propanoic acid |
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![7PN 7PN](https://data.pdbj.org/pdbjplus/data/cc/svg/7PN.svg) | 7PN | Name: | N-(1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide | Formula: | C19 H14 F N O | SMILES: | Fc1ccc(cc1)C(=O)Nc2ccc3CCc4cccc2c34 | InChi: | InChI=1S/C19H14FNO/c20-15-9-6-14(7-10-15)19(22)21-17-11-8-13-5-4-12-2-1-3-16(17)18(12)13/h1-3,6-11H,4-5H2,(H,21,22) | Definition date: | 2023-03-06 | Last modified: | 2024-01-12 | Release date: | 2024-01-17 | Identifier: | ~{N}-(1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide |
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![7Q0 7Q0](https://data.pdbj.org/pdbjplus/data/cc/svg/7Q0.svg) | 7Q0 | Name: | N-(4-azanyl-1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide | Formula: | C19 H15 F N2 O | SMILES: | Nc1cc2CCc3cccc(c1NC(=O)c4ccc(F)cc4)c23 | InChi: | InChI=1S/C19H15FN2O/c20-14-8-6-12(7-9-14)19(23)22-18-15-3-1-2-11-4-5-13(17(11)15)10-16(18)21/h1-3,6-10H,4-5,21H2,(H,22,23) | Definition date: | 2023-03-06 | Last modified: | 2024-01-12 | Release date: | 2024-01-17 | Identifier: | ~{N}-(4-azanyl-1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide |
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![98I 98I](https://data.pdbj.org/pdbjplus/data/cc/svg/98I.svg) | 98I | Name: | ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide | Formula: | C49 H59 N7 O7 S | SMILES: | CC(C)c1ccccc1[CH]2CCCN2C3CC4(CCN(CC4)c5ccc(C(=O)N[S](=O)(=O)c6ccc(NC[CH]7CC[C](C)(O)CC7)c(c6)[N](=O)=O)c(Oc8cnc9[nH]ccc9c8)c5)C3 | InChi: | InChI=1S/C49H59N7O7S/c1-32(2)39-7-4-5-8-40(39)43-9-6-22-55(43)36-28-49(29-36)19-23-54(24-20-49)35-10-12-41(45(26-35)63-37-25-34-16-21-50-46(34)52-31-37)47(57)53-64(61,62)38-11-13-42(44(27-38)56(59)60)51-30-33-14-17-48(3,58)18-15-33/h4-5,7-8,10-13,16,21,25-27,31-33,36,43,51,58H,6,9,14-15,17-20,22-24,28-30H2,1-3H3,(H,50,52)(H,53,57)/t33-,43-,48-/m0/s1 | Definition date: | 2022-01-11 | Last modified: | 2024-01-12 | Release date: | 2024-01-17 | Identifier: | ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide |
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![JTI JTI](https://data.pdbj.org/pdbjplus/data/cc/svg/JTI.svg) | JTI | Name: | 2-[4-[(2~{S})-3-[[6-chloranyl-1-(2-methoxyethyl)benzimidazol-2-yl]amino]-2-oxidanyl-propoxy]phenyl]ethanenitrile | Formula: | C21 H23 Cl N4 O3 | SMILES: | COCCn1c(NC[CH](O)COc2ccc(CC#N)cc2)nc3ccc(Cl)cc13 | InChi: | InChI=1S/C21H23ClN4O3/c1-28-11-10-26-20-12-16(22)4-7-19(20)25-21(26)24-13-17(27)14-29-18-5-2-15(3-6-18)8-9-23/h2-7,12,17,27H,8,10-11,13-14H2,1H3,(H,24,25)/t17-/m0/s1 | Definition date: | 2023-08-09 | Last modified: | 2024-01-12 | Release date: | 2024-01-17 | Identifier: | 2-[4-[(2~{S})-3-[[6-chloranyl-1-(2-methoxyethyl)benzimidazol-2-yl]amino]-2-oxidanyl-propoxy]phenyl]ethanenitrile |
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![JVO JVO](https://data.pdbj.org/pdbjplus/data/cc/svg/JVO.svg) | JVO | Name: | 2-[4-[(2~{S})-3-[(6-chloranyl-1-propan-2-yl-benzimidazol-2-yl)amino]-2-oxidanyl-propoxy]phenyl]ethanenitrile | Formula: | C21 H23 Cl N4 O2 | SMILES: | CC(C)n1c(NC[CH](O)COc2ccc(CC#N)cc2)nc3ccc(Cl)cc13 | InChi: | InChI=1S/C21H23ClN4O2/c1-14(2)26-20-11-16(22)5-8-19(20)25-21(26)24-12-17(27)13-28-18-6-3-15(4-7-18)9-10-23/h3-8,11,14,17,27H,9,12-13H2,1-2H3,(H,24,25)/t17-/m0/s1 | Definition date: | 2023-08-09 | Last modified: | 2024-01-12 | Release date: | 2024-01-17 | Identifier: | 2-[4-[(2~{S})-3-[(6-chloranyl-1-propan-2-yl-benzimidazol-2-yl)amino]-2-oxidanyl-propoxy]phenyl]ethanenitrile |
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![7S8 7S8](https://data.pdbj.org/pdbjplus/data/cc/svg/7S8.svg) | 7S8 | Name: | [(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-selanyl-phosphinous acid | Formula: | C10 H14 N5 O5 P Se | SMILES: | NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)[SeH])O3 | InChi: | InChI=1S/C10H14N5O5PSe/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(20-6)2-19-21(18)22/h3-6,16,18,22H,1-2H2,(H3,11,13,14,17)/t4-,5+,6+,21+/m0/s1 | Definition date: | 2023-03-09 | Last modified: | 2024-01-11 | Release date: | 2024-01-10 | Identifier: | [(2~{R},3~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-selanyl-phosphinous acid |
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![8H2 8H2](https://data.pdbj.org/pdbjplus/data/cc/svg/8H2.svg) | 8H2 | Name: | [(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-selanyl-phosphinous acid | Formula: | | SMILES: | NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)[SeH])O3 | InChi: | InChI=1S/C10H14N5O5PSe/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(20-6)2-19-21(18)22/h3-6,16,18,22H,1-2H2,(H3,11,13,14,17)/t4-,5+,6+,21-/m0/s1 | Definition date: | 2023-03-28 | Last modified: | 2024-01-11 | Release date: | 2024-01-10 | Identifier: | [(2~{R},3~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-selanyl-phosphinous acid |
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