![FTW FTW](https://data.pdbj.org/pdbjplus/data/cc/svg/FTW.svg) | FTW | Name: | 5-[(4-methoxynaphthalen-1-yl)methyl]-1-[2-[(2-methyl-1-oxidanyl-propan-2-yl)amino]ethyl]-~{N}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide | Formula: | C36 H41 N5 O3 | SMILES: | COc1ccc(CN2CCc3n(CCNC(C)(C)CO)nc(C(=O)NCc4cccc5ccccc45)c3C2)c6ccccc16 | InChi: | InChI=1S/C36H41N5O3/c1-36(2,24-42)38-18-20-41-32-17-19-40(22-27-15-16-33(44-3)30-14-7-6-13-29(27)30)23-31(32)34(39-41)35(43)37-21-26-11-8-10-25-9-4-5-12-28(25)26/h4-16,38,42H,17-24H2,1-3H3,(H,37,43) | Definition date: | 2018-07-27 | Last modified: | 2019-12-27 | Release date: | 2020-01-01 | Identifier: | 5-[(4-methoxynaphthalen-1-yl)methyl]-1-[2-[(2-methyl-1-oxidanyl-propan-2-yl)amino]ethyl]-~{N}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide |
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![M9K M9K](https://data.pdbj.org/pdbjplus/data/cc/svg/M9K.svg) | M9K | Name: | 2-(6-chloranyl-7-cyclopropyl-thieno[3,2-d]pyrimidin-4-yl)sulfanylethanoic acid | Formula: | C11 H9 Cl N2 O2 S2 | SMILES: | OC(=O)CSc1ncnc2c1sc(Cl)c2C3CC3 | InChi: | InChI=1S/C11H9ClN2O2S2/c12-10-7(5-1-2-5)8-9(18-10)11(14-4-13-8)17-3-6(15)16/h4-5H,1-3H2,(H,15,16) | Definition date: | 2019-10-09 | Last modified: | 2019-12-27 | Release date: | 2020-01-01 | Identifier: | 2-(6-chloranyl-7-cyclopropyl-thieno[3,2-d]pyrimidin-4-yl)sulfanylethanoic acid |
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![M9N M9N](https://data.pdbj.org/pdbjplus/data/cc/svg/M9N.svg) | M9N | Name: | 2-[[(4~{S})-5-chloranyl-6-methyl-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-4-yl]sulfanyl]ethanoic acid | Formula: | C9 H11 Cl N2 O2 S2 | SMILES: | Cc1sc2NCN[CH](SCC(O)=O)c2c1Cl | InChi: | InChI=1S/C9H11ClN2O2S2/c1-4-7(10)6-8(15-2-5(13)14)11-3-12-9(6)16-4/h8,11-12H,2-3H2,1H3,(H,13,14)/t8-/m0/s1 | Definition date: | 2019-10-09 | Last modified: | 2019-12-27 | Release date: | 2020-01-01 | Identifier: | 2-[[(4~{S})-5-chloranyl-6-methyl-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-4-yl]sulfanyl]ethanoic acid |
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![M9T M9T](https://data.pdbj.org/pdbjplus/data/cc/svg/M9T.svg) | M9T | Name: | 2-[(4-methoxy-2-methyl-phenyl)amino]-7-methyl-9-(4-oxidanylcyclohexyl)purin-8-one | Formula: | C20 H25 N5 O3 | SMILES: | COc1ccc(Nc2ncc3N(C)C(=O)N([CH]4CC[CH](O)CC4)c3n2)c(C)c1 | InChi: | InChI=1S/C20H25N5O3/c1-12-10-15(28-3)8-9-16(12)22-19-21-11-17-18(23-19)25(20(27)24(17)2)13-4-6-14(26)7-5-13/h8-11,13-14,26H,4-7H2,1-3H3,(H,21,22,23)/t13-,14- | Definition date: | 2019-10-09 | Last modified: | 2019-12-27 | Release date: | 2020-01-01 | Identifier: | 2-[(4-methoxy-2-methyl-phenyl)amino]-7-methyl-9-(4-oxidanylcyclohexyl)purin-8-one |
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![MBW MBW](https://data.pdbj.org/pdbjplus/data/cc/svg/MBW.svg) | MBW | Name: | 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one | Formula: | C18 H20 N8 O2 | SMILES: | CN1C(=O)N(C2CCOCC2)c3nc(Nc4cn5ncnc5cc4C)ncc13 | InChi: | InChI=1S/C18H20N8O2/c1-11-7-15-20-10-21-25(15)9-13(11)22-17-19-8-14-16(23-17)26(18(27)24(14)2)12-3-5-28-6-4-12/h7-10,12H,3-6H2,1-2H3,(H,19,22,23) | Definition date: | 2019-10-10 | Last modified: | 2019-12-27 | Release date: | 2020-01-01 | Identifier: | 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one |
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![MFE MFE](https://data.pdbj.org/pdbjplus/data/cc/svg/MFE.svg) | MFE | Name: | ~{N}-[(4-chlorophenyl)methyl]quinazolin-4-amine | Formula: | C15 H12 Cl N3 | SMILES: | Clc1ccc(CNc2ncnc3ccccc23)cc1 | InChi: | InChI=1S/C15H12ClN3/c16-12-7-5-11(6-8-12)9-17-15-13-3-1-2-4-14(13)18-10-19-15/h1-8,10H,9H2,(H,17,18,19) | Definition date: | 2019-10-12 | Last modified: | 2019-12-27 | Release date: | 2020-01-01 | Identifier: | ~{N}-[(4-chlorophenyl)methyl]quinazolin-4-amine |
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![H7S H7S](https://data.pdbj.org/pdbjplus/data/cc/svg/H7S.svg) | H7S | Name: | (3S)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione | Formula: | C12 H9 F N2 O2 | SMILES: | C1(C(NC(=O)C1)=O)c2cnc3c2cc(cc3)F | InChi: | InChI=1S/C12H9FN2O2/c13-6-1-2-10-7(3-6)9(5-14-10)8-4-11(16)15-12(8)17/h1-3,5,8,14H,4H2,(H,15,16,17)/t8-/m0/s1 | Definition date: | 2018-06-13 | Last modified: | 2019-12-27 | Release date: | 2020-01-01 | Identifier: | (3S)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione |
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![B7O B7O](https://data.pdbj.org/pdbjplus/data/cc/svg/B7O.svg) | B7O | Name: | ~{N}-[4-[(4-~{tert}-butylphenyl)carbonylamino]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide | Formula: | C26 H26 N2 O4 | SMILES: | CC(C)(C)c1ccc(cc1)C(=O)Nc2ccc(NC(=O)c3ccc4OCCOc4c3)cc2 | InChi: | InChI=1S/C26H26N2O4/c1-26(2,3)19-7-4-17(5-8-19)24(29)27-20-9-11-21(12-10-20)28-25(30)18-6-13-22-23(16-18)32-15-14-31-22/h4-13,16H,14-15H2,1-3H3,(H,27,29)(H,28,30) | Definition date: | 2019-01-18 | Last modified: | 2019-12-27 | Release date: | 2020-01-01 | Identifier: | ~{N}-[4-[(4-~{tert}-butylphenyl)carbonylamino]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide |
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![B7U B7U](https://data.pdbj.org/pdbjplus/data/cc/svg/B7U.svg) | B7U | Name: | (2S)-2-phenyl-N-[(1R)-1-phenylethyl]propanamide | Formula: | C17 H19 N O | SMILES: | O=C(C(C)c1ccccc1)NC(C)c2ccccc2 | InChi: | InChI=1S/C17H19NO/c1-13(15-9-5-3-6-10-15)17(19)18-14(2)16-11-7-4-8-12-16/h3-14H,1-2H3,(H,18,19)/t13-,14+/m0/s1 | Definition date: | 2019-01-21 | Last modified: | 2019-12-27 | Release date: | 2020-01-01 | Identifier: | (2S)-2-phenyl-N-[(1R)-1-phenylethyl]propanamide |
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![E7X E7X](https://data.pdbj.org/pdbjplus/data/cc/svg/E7X.svg) | E7X | Name: | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-hydroxyethyl)amino]-2-azaniumyl-butanoate | Formula: | C16 H25 N7 O6 | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CN(CCO)CC[CH]([NH3+])C([O-])=O)[CH](O)[CH]3O | InChi: | InChI=1S/C16H25N7O6/c17-8(16(27)28)1-2-22(3-4-24)5-9-11(25)12(26)15(29-9)23-7-21-10-13(18)19-6-20-14(10)23/h6-9,11-12,15,24-26H,1-5,17H2,(H,27,28)(H2,18,19,20)/t8-,9+,11+,12+,15+/m0/s1 | Definition date: | 2019-11-14 | Last modified: | 2019-12-27 | Release date: | 2020-01-01 | Identifier: | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-hydroxyethyl)amino]-2-azaniumyl-butanoate |
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![NQ2 NQ2](https://data.pdbj.org/pdbjplus/data/cc/svg/NQ2.svg) | NQ2 | Name: | ~{N}-[2-methoxy-5-[7-[2-[4-(2-oxidanylpropan-2-yl)piperidin-1-yl]ethoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]methanesulfonamide | Formula: | C25 H35 N3 O6 S | SMILES: | COc1ncc(cc1N[S](C)(=O)=O)c2cc3COCc3c(OCCN4CCC(CC4)C(C)(C)O)c2 | InChi: | InChI=1S/C25H35N3O6S/c1-25(2,29)20-5-7-28(8-6-20)9-10-34-23-13-17(11-19-15-33-16-21(19)23)18-12-22(27-35(4,30)31)24(32-3)26-14-18/h11-14,20,27,29H,5-10,15-16H2,1-4H3 | Definition date: | 2019-12-10 | Last modified: | 2019-12-27 | Release date: | 2020-01-01 | Identifier: | ~{N}-[2-methoxy-5-[7-[2-[4-(2-oxidanylpropan-2-yl)piperidin-1-yl]ethoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]methanesulfonamide |
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![NQ5 NQ5](https://data.pdbj.org/pdbjplus/data/cc/svg/NQ5.svg) | NQ5 | Name: | 2-methoxy-~{N}-[2-methoxy-5-[7-[[(2~{R})-4-(oxetan-3-yl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]ethanesulfonamide | Formula: | C25 H33 N3 O8 S | SMILES: | COCC[S](=O)(=O)Nc1cc(cnc1OC)c2cc3COCc3c(OC[CH]4CN(CCO4)C5COC5)c2 | InChi: | InChI=1S/C25H33N3O8S/c1-31-5-6-37(29,30)27-23-8-18(10-26-25(23)32-2)17-7-19-12-33-16-22(19)24(9-17)36-15-21-11-28(3-4-35-21)20-13-34-14-20/h7-10,20-21,27H,3-6,11-16H2,1-2H3/t21-/m1/s1 | Definition date: | 2019-12-11 | Last modified: | 2019-12-27 | Release date: | 2020-01-01 | Identifier: | 2-methoxy-~{N}-[2-methoxy-5-[7-[[(2~{R})-4-(oxetan-3-yl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]ethanesulfonamide |
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![NRZ NRZ](https://data.pdbj.org/pdbjplus/data/cc/svg/NRZ.svg) | NRZ | Name: | (2~{S})-~{N}-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide | Formula: | C20 H24 N2 O4 S | SMILES: | COc1ccc(cc1)[S](=O)(=O)N2CCC[CH]2C(=O)Nc3cc(C)cc(C)c3 | InChi: | InChI=1S/C20H24N2O4S/c1-14-11-15(2)13-16(12-14)21-20(23)19-5-4-10-22(19)27(24,25)18-8-6-17(26-3)7-9-18/h6-9,11-13,19H,4-5,10H2,1-3H3,(H,21,23)/t19-/m0/s1 | Definition date: | 2019-12-12 | Last modified: | 2019-12-27 | Release date: | 2020-01-01 | Identifier: | (2~{S})-~{N}-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide |
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![NS2 NS2](https://data.pdbj.org/pdbjplus/data/cc/svg/NS2.svg) | NS2 | Name: | [(2~{S})-2-(6-chloranyl-7-methyl-1~{H}-benzimidazol-2-yl)-2-methyl-pyrrolidin-1-yl]-[5-methoxy-2-(1,2,3-triazol-2-yl)phenyl]methanone | Formula: | C23 H23 Cl N6 O2 | SMILES: | COc1ccc(n2nccn2)c(c1)C(=O)N3CCC[C]3(C)c4[nH]c5c(C)c(Cl)ccc5n4 | InChi: | InChI=1S/C23H23ClN6O2/c1-14-17(24)6-7-18-20(14)28-22(27-18)23(2)9-4-12-29(23)21(31)16-13-15(32-3)5-8-19(16)30-25-10-11-26-30/h5-8,10-11,13H,4,9,12H2,1-3H3,(H,27,28)/t23-/m0/s1 | Definition date: | 2019-12-12 | Last modified: | 2019-12-27 | Release date: | 2020-01-01 | Identifier: | [(2~{S})-2-(6-chloranyl-7-methyl-1~{H}-benzimidazol-2-yl)-2-methyl-pyrrolidin-1-yl]-[5-methoxy-2-(1,2,3-triazol-2-yl)phenyl]methanone |
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![NT5 NT5](https://data.pdbj.org/pdbjplus/data/cc/svg/NT5.svg) | NT5 | Name: | [(2~{R},5~{R})-5-[(5-fluoranylpyridin-2-yl)oxymethyl]-2-methyl-piperidin-1-yl]-(5-methyl-2-pyrimidin-2-yl-phenyl)methanone | Formula: | C24 H25 F N4 O2 | SMILES: | C[CH]1CC[CH](COc2ccc(F)cn2)CN1C(=O)c3cc(C)ccc3c4ncccn4 | InChi: | InChI=1S/C24H25FN4O2/c1-16-4-8-20(23-26-10-3-11-27-23)21(12-16)24(30)29-14-18(6-5-17(29)2)15-31-22-9-7-19(25)13-28-22/h3-4,7-13,17-18H,5-6,14-15H2,1-2H3/t17-,18-/m1/s1 | Definition date: | 2019-12-12 | Last modified: | 2019-12-27 | Release date: | 2020-01-01 | Identifier: | [(2~{R},5~{R})-5-[(5-fluoranylpyridin-2-yl)oxymethyl]-2-methyl-piperidin-1-yl]-(5-methyl-2-pyrimidin-2-yl-phenyl)methanone |
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![NU8 NU8](https://data.pdbj.org/pdbjplus/data/cc/svg/NU8.svg) | NU8 | Name: | 2-(5,6-dimethoxypyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one | Formula: | C20 H15 F3 N4 O5 S | SMILES: | COc1cc(cnc1OC)N2C(=O)N(Cc3c(F)cc(F)cc3F)c4ncccc4[S]2(=O)=O | InChi: | InChI=1S/C20H15F3N4O5S/c1-31-16-8-12(9-25-19(16)32-2)27-20(28)26(10-13-14(22)6-11(21)7-15(13)23)18-17(33(27,29)30)4-3-5-24-18/h3-9H,10H2,1-2H3 | Definition date: | 2019-12-13 | Last modified: | 2019-12-27 | Release date: | 2020-01-01 | Identifier: | 2-(5,6-dimethoxypyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one |
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![NV8 NV8](https://data.pdbj.org/pdbjplus/data/cc/svg/NV8.svg) | NV8 | Name: | 2-[1-(phenylsulfonyl)-1,8-diazaspiro[4.5]decan-8-yl]-1,3-benzoxazole | Formula: | C21 H23 N3 O3 S | SMILES: | O=[S](=O)(N1CCCC12CCN(CC2)c3oc4ccccc4n3)c5ccccc5 | InChi: | InChI=1S/C21H23N3O3S/c25-28(26,17-7-2-1-3-8-17)24-14-6-11-21(24)12-15-23(16-13-21)20-22-18-9-4-5-10-19(18)27-20/h1-5,7-10H,6,11-16H2 | Definition date: | 2019-12-16 | Last modified: | 2019-12-27 | Release date: | 2020-01-01 | Identifier: | 2-[1-(phenylsulfonyl)-1,8-diazaspiro[4.5]decan-8-yl]-1,3-benzoxazole |
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![NVH NVH](https://data.pdbj.org/pdbjplus/data/cc/svg/NVH.svg) | NVH | Name: | 2-(5-methylsulfonylpyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one | Formula: | C19 H13 F3 N4 O5 S2 | SMILES: | C[S](=O)(=O)c1cncc(c1)N2C(=O)N(Cc3c(F)cc(F)cc3F)c4ncccc4[S]2(=O)=O | InChi: | InChI=1S/C19H13F3N4O5S2/c1-32(28,29)13-7-12(8-23-9-13)26-19(27)25(10-14-15(21)5-11(20)6-16(14)22)18-17(33(26,30)31)3-2-4-24-18/h2-9H,10H2,1H3 | Definition date: | 2019-12-16 | Last modified: | 2019-12-27 | Release date: | 2020-01-01 | Identifier: | 2-(5-methylsulfonylpyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one |
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![NVK NVK](https://data.pdbj.org/pdbjplus/data/cc/svg/NVK.svg) | NVK | Name: | 1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea | Formula: | C17 H13 N5 O2 | SMILES: | Cc1oc2cc(NC(=O)Nc3ccnc4cccnc34)ccc2n1 | InChi: | InChI=1S/C17H13N5O2/c1-10-20-12-5-4-11(9-15(12)24-10)21-17(23)22-14-6-8-18-13-3-2-7-19-16(13)14/h2-9H,1H3,(H2,18,21,22,23) | Definition date: | 2019-12-16 | Last modified: | 2019-12-27 | Release date: | 2020-01-01 | Identifier: | 1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea |
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![NVN NVN](https://data.pdbj.org/pdbjplus/data/cc/svg/NVN.svg) | NVN | Name: | 1-[6,8-bis(fluoranyl)-2-methyl-quinolin-4-yl]-3-[4-(dimethylamino)phenyl]urea | Formula: | C19 H18 F2 N4 O | SMILES: | CN(C)c1ccc(NC(=O)Nc2cc(C)nc3c(F)cc(F)cc23)cc1 | InChi: | InChI=1S/C19H18F2N4O/c1-11-8-17(15-9-12(20)10-16(21)18(15)22-11)24-19(26)23-13-4-6-14(7-5-13)25(2)3/h4-10H,1-3H3,(H2,22,23,24,26) | Definition date: | 2019-12-16 | Last modified: | 2019-12-27 | Release date: | 2020-01-01 | Identifier: | 1-[6,8-bis(fluoranyl)-2-methyl-quinolin-4-yl]-3-[4-(dimethylamino)phenyl]urea |
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![HW2 HW2](https://data.pdbj.org/pdbjplus/data/cc/svg/HW2.svg) | HW2 | Name: | isoquercetin | Formula: | C21 H20 O12 | SMILES: | OC[CH]1O[CH](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1 | Definition date: | 2018-12-28 | Last modified: | 2019-12-20 | Release date: | 2019-12-25 | Identifier: | 2-[3,4-bis(oxidanyl)phenyl]-3-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one |
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![HWB HWB](https://data.pdbj.org/pdbjplus/data/cc/svg/HWB.svg) | HWB | Name: | cyanidin | Formula: | C15 H11 O6 | SMILES: | Oc1cc(O)c2cc(O)c([o+]c2c1)c3ccc(O)c(O)c3 | InChi: | InChI=1S/C15H10O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-6H,(H4-,16,17,18,19,20)/p+1 | Definition date: | 2018-12-29 | Last modified: | 2019-12-20 | Release date: | 2019-12-25 | Identifier: | 2-[3,4-bis(oxidanyl)phenyl]chromenylium-3,5,7-triol |
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![L3E L3E](https://data.pdbj.org/pdbjplus/data/cc/svg/L3E.svg) | L3E | Name: | 4-[(~{E})-[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methylideneamino]benzoic acid | Formula: | C22 H13 Cl F3 N3 O3 | SMILES: | OC(=O)c1ccc(cc1)N=Cc2c(onc2c3c(Cl)cccc3C(F)(F)F)c4c[nH]cc4 | InChi: | InChI=1S/C22H13ClF3N3O3/c23-17-3-1-2-16(22(24,25)26)18(17)19-15(20(32-29-19)13-8-9-27-10-13)11-28-14-6-4-12(5-7-14)21(30)31/h1-11,27H,(H,30,31)/b28-11+ | Definition date: | 2019-07-17 | Last modified: | 2019-12-20 | Release date: | 2019-12-25 | Identifier: | 4-[(~{E})-[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methylideneamino]benzoic acid |
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![OJ1 OJ1](https://data.pdbj.org/pdbjplus/data/cc/svg/OJ1.svg) | OJ1 | Name: | 1-{4-[7-chloro-6-(2-fluoro-6-hydroxyphenyl)-4-phenylphthalazin-1-yl]piperazin-1-yl}propan-1-one | Formula: | C27 H24 Cl F N4 O2 | SMILES: | CCC(N1CCN(CC1)c2c5c(c(nn2)c3ccccc3)cc(c4c(cccc4F)O)c(Cl)c5)=O | InChi: | InChI=1S/C27H24ClFN4O2/c1-2-24(35)32-11-13-33(14-12-32)27-19-16-21(28)20(25-22(29)9-6-10-23(25)34)15-18(19)26(30-31-27)17-7-4-3-5-8-17/h3-10,15-16,34H,2,11-14H2,1H3 | Definition date: | 2019-06-25 | Last modified: | 2019-12-20 | Release date: | 2019-12-25 | Identifier: | 1-{4-[7-chloro-6-(2-fluoro-6-hydroxyphenyl)-4-phenylphthalazin-1-yl]piperazin-1-yl}propan-1-one |
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![QEV QEV](https://data.pdbj.org/pdbjplus/data/cc/svg/QEV.svg) | QEV | Name: | methyl [(3R,7S)-7-{[1-(3-chloro-2-fluorophenyl)-5-methyl-1H-imidazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate | Formula: | C31 H30 Cl F N6 O4 | SMILES: | C2(C(CCCC(c3cc(c1c(cc(cc1)NC(OC)=O)N2)ccn3)NC(=O)c5c(n(c4c(c(Cl)ccc4)F)cn5)C)C)=O | InChi: | InChI=1S/C31H30ClFN6O4/c1-17-6-4-8-23(37-30(41)28-18(2)39(16-35-28)26-9-5-7-22(32)27(26)33)25-14-19(12-13-34-25)21-11-10-20(36-31(42)43-3)15-24(21)38-29(17)40/h5,7,9-17,23H,4,6,8H2,1-3H3,(H,36,42)(H,37,41)(H,38,40)/t17-,23+/m1/s1 | Definition date: | 2019-10-18 | Last modified: | 2019-12-20 | Release date: | 2019-12-25 | Identifier: | methyl [(3R,7S)-7-{[1-(3-chloro-2-fluorophenyl)-5-methyl-1H-imidazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate |
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