![Q4M Q4M](https://data.pdbj.org/pdbjplus/data/cc/svg/Q4M.svg) | Q4M | Name: | [(1S)-1-(chloromethyl)-1,6-dihydropyrrolo[3,2-e]indol-3(2H)-yl](5-methoxy-1H-indol-2-yl)methanone | Formula: | C21 H18 Cl N3 O2 | SMILES: | c54c(cc(C(N2CC(c1c3c(ccc12)ncc3)CCl)=O)n4)cc(cc5)OC | InChi: | InChI=1S/C21H18ClN3O2/c1-27-14-2-3-16-12(8-14)9-18(24-16)21(26)25-11-13(10-22)20-15-6-7-23-17(15)4-5-19(20)25/h2-9,13,23-24H,10-11H2,1H3/t13-/m1/s1 | Definition date: | 2019-09-20 | Last modified: | 2020-09-18 | Release date: | 2020-09-23 | Identifier: | [(1S)-1-(chloromethyl)-1,6-dihydropyrrolo[3,2-e]indol-3(2H)-yl](5-methoxy-1H-indol-2-yl)methanone |
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![Q4P Q4P](https://data.pdbj.org/pdbjplus/data/cc/svg/Q4P.svg) | Q4P | Name: | [(8S)-8-(chloromethyl)-7,8-dihydro-6H-furo[3,2-e]indol-6-yl](5-fluoro-1H-indol-2-yl)methanone | Formula: | C20 H14 Cl F N2 O2 | SMILES: | c15c(cc(F)cc1)cc(C(N2CC(CCl)c3c4c(ccc23)occ4)=O)n5 | InChi: | InChI=1S/C20H14ClFN2O2/c21-9-12-10-24(17-3-4-18-14(19(12)17)5-6-26-18)20(25)16-8-11-7-13(22)1-2-15(11)23-16/h1-8,12,23H,9-10H2/t12-/m1/s1 | Definition date: | 2019-09-20 | Last modified: | 2020-09-18 | Release date: | 2020-09-23 | Identifier: | [(8S)-8-(chloromethyl)-7,8-dihydro-6H-furo[3,2-e]indol-6-yl](5-fluoro-1H-indol-2-yl)methanone |
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![QDT QDT](https://data.pdbj.org/pdbjplus/data/cc/svg/QDT.svg) | QDT | Name: | 2-methylpropyl 1-[8-methoxy-5-(1-oxidanylidene-3~{H}-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate | Formula: | C23 H23 N3 O5 | SMILES: | COc1ccc(n2nc(nc12)C3(CC3)C(=O)OCC(C)C)c4ccc5C(=O)OCc5c4 | InChi: | InChI=1S/C23H23N3O5/c1-13(2)11-31-22(28)23(8-9-23)21-24-19-18(29-3)7-6-17(26(19)25-21)14-4-5-16-15(10-14)12-30-20(16)27/h4-7,10,13H,8-9,11-12H2,1-3H3 | Definition date: | 2020-06-08 | Last modified: | 2020-09-18 | Release date: | 2020-09-23 | Identifier: | 2-methylpropyl 1-[8-methoxy-5-(1-oxidanylidene-3~{H}-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate |
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![EJ9 EJ9](https://data.pdbj.org/pdbjplus/data/cc/svg/EJ9.svg) | EJ9 | Name: | (2S)-2-[2-(3,4-dihydro-2H-chromen-6-yl)-4-(3,4-dimethylphenyl)-3,6-dimethyl-5-(methylsulfonylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid | Formula: | C32 H39 N O6 S | SMILES: | Cc1ccc(cc1C)c2c(C)c(c3ccc4OCCCc4c3)c([CH](OC(C)(C)C)C(O)=O)c(C)c2N[S](C)(=O)=O | InChi: | InChI=1S/C32H39NO6S/c1-18-11-12-23(16-19(18)2)27-20(3)26(24-13-14-25-22(17-24)10-9-15-38-25)28(21(4)29(27)33-40(8,36)37)30(31(34)35)39-32(5,6)7/h11-14,16-17,30,33H,9-10,15H2,1-8H3,(H,34,35)/t30-/m0/s1 | Definition date: | 2019-12-27 | Last modified: | 2020-09-18 | Release date: | 2020-09-23 | Identifier: | (2~{S})-2-[2-(3,4-dihydro-2~{H}-chromen-6-yl)-4-(3,4-dimethylphenyl)-3,6-dimethyl-5-(methylsulfonylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid |
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![GJO GJO](https://data.pdbj.org/pdbjplus/data/cc/svg/GJO.svg) | GJO | Name: | 4-(3-acetamidophenyl)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide | Formula: | C24 H20 N4 O7 S | SMILES: | COc1ccc(cc1)[S](=O)(=O)NC(=O)c2[nH]c3c(c2)c(ccc3[N+]([O-])=O)c4cccc(NC(C)=O)c4 | InChi: | InChI=1S/C24H20N4O7S/c1-14(29)25-16-5-3-4-15(12-16)19-10-11-22(28(31)32)23-20(19)13-21(26-23)24(30)27-36(33,34)18-8-6-17(35-2)7-9-18/h3-13,26H,1-2H3,(H,25,29)(H,27,30) | Definition date: | 2020-08-31 | Last modified: | 2020-09-18 | Release date: | 2020-09-23 | Identifier: | 4-(3-acetamidophenyl)-~{N}-(4-methoxyphenyl)sulfonyl-7-nitro-1~{H}-indole-2-carboxamide |
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![940 940](https://data.pdbj.org/pdbjplus/data/cc/svg/940.svg) | 940 | Name: | (2S)-2-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-(3,4-dimethylphenyl)-3,6-dimethyl-5-(methylsulfonylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid | Formula: | C31 H38 N2 O6 S | SMILES: | Cc1ccc(cc1C)c2c(C)c(c3ccc4OCCNc4c3)c([CH](OC(C)(C)C)C(O)=O)c(C)c2N[S](C)(=O)=O | InChi: | InChI=1S/C31H38N2O6S/c1-17-9-10-21(15-18(17)2)26-19(3)25(22-11-12-24-23(16-22)32-13-14-38-24)27(20(4)28(26)33-40(8,36)37)29(30(34)35)39-31(5,6)7/h9-12,15-16,29,32-33H,13-14H2,1-8H3,(H,34,35)/t29-/m0/s1 | Definition date: | 2019-12-27 | Last modified: | 2020-09-18 | Release date: | 2020-09-23 | Identifier: | (2~{S})-2-[2-(3,4-dihydro-2~{H}-1,4-benzoxazin-6-yl)-4-(3,4-dimethylphenyl)-3,6-dimethyl-5-(methylsulfonylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid |
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![E1O E1O](https://data.pdbj.org/pdbjplus/data/cc/svg/E1O.svg) | E1O | Name: | (2R)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-sulfanyl-propanoic acid | Formula: | C11 H15 N2 O7 P S | SMILES: | Cc1ncc(CO[P](O)(O)=O)c(C=N[CH](CS)C(O)=O)c1O | InChi: | InChI=1S/C11H15N2O7PS/c1-6-10(14)8(3-13-9(5-22)11(15)16)7(2-12-6)4-20-21(17,18)19/h2-3,9,14,22H,4-5H2,1H3,(H,15,16)(H2,17,18,19)/b13-3+/t9-/m0/s1 | Definition date: | 2019-10-02 | Last modified: | 2020-09-18 | Release date: | 2020-09-23 | Identifier: | (2~{R})-2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-sulfanyl-propanoic acid |
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![E1R E1R](https://data.pdbj.org/pdbjplus/data/cc/svg/E1R.svg) | E1R | Name: | (2S)-3-acetyloxy-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]propanoic acid | Formula: | C13 H17 N2 O9 P | SMILES: | CC(=O)OC[CH](N=Cc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O | InChi: | InChI=1S/C13H17N2O9P/c1-7-12(17)10(9(3-14-7)5-24-25(20,21)22)4-15-11(13(18)19)6-23-8(2)16/h3-4,11,17H,5-6H2,1-2H3,(H,18,19)(H2,20,21,22)/b15-4+/t11-/m0/s1 | Definition date: | 2019-10-02 | Last modified: | 2020-09-18 | Release date: | 2020-09-23 | Identifier: | (2~{S})-3-acetyloxy-2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]propanoic acid |
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![E1U E1U](https://data.pdbj.org/pdbjplus/data/cc/svg/E1U.svg) | E1U | Name: | (2S)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-phosphonooxy-propanoic acid | Formula: | C11 H16 N2 O11 P2 | SMILES: | Cc1ncc(CO[P](O)(O)=O)c(C=N[CH](CO[P](O)(O)=O)C(O)=O)c1O | InChi: | InChI=1S/C11H16N2O11P2/c1-6-10(14)8(7(2-12-6)4-23-25(17,18)19)3-13-9(11(15)16)5-24-26(20,21)22/h2-3,9,14H,4-5H2,1H3,(H,15,16)(H2,17,18,19)(H2,20,21,22)/t9-/m0/s1 | Definition date: | 2019-10-02 | Last modified: | 2020-09-18 | Release date: | 2020-09-23 | Identifier: | (2~{S})-2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-phosphonooxy-propanoic acid |
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![E7M E7M](https://data.pdbj.org/pdbjplus/data/cc/svg/E7M.svg) | E7M | Name: | 3-[(imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methyl-N-[4-({[2-(morpholin-4-yl)ethyl]amino}methyl)-3-(trifluoromethyl)phenyl]benzamide | Formula: | C30 H29 F3 N6 O2 | SMILES: | c5c4ncc(C#Cc1c(C)ccc(c1)C(Nc2cc(c(cc2)CNCCN3CCOCC3)C(F)(F)F)=O)n4ncc5 | InChi: | InChI=1S/C30H29F3N6O2/c1-21-4-5-23(17-22(21)7-9-26-20-35-28-3-2-10-36-39(26)28)29(40)37-25-8-6-24(27(18-25)30(31,32)33)19-34-11-12-38-13-15-41-16-14-38/h2-6,8,10,17-18,20,34H,11-16,19H2,1H3,(H,37,40) | Definition date: | 2017-12-06 | Last modified: | 2020-09-18 | Release date: | 2020-09-23 | Identifier: | 3-[(imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methyl-N-[4-({[2-(morpholin-4-yl)ethyl]amino}methyl)-3-(trifluoromethyl)phenyl]benzamide |
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![L3S L3S](https://data.pdbj.org/pdbjplus/data/cc/svg/L3S.svg) | L3S | Name: | 5-methyl-2-nitrophenol | Formula: | C7 H7 N O3 | SMILES: | c1(cc(C)ccc1[N+](=O)[O-])O | InChi: | InChI=1S/C7H7NO3/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3 | Definition date: | 2019-02-06 | Last modified: | 2020-09-18 | Release date: | 2020-09-23 | Identifier: | 5-methyl-2-nitrophenol |
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![L3Y L3Y](https://data.pdbj.org/pdbjplus/data/cc/svg/L3Y.svg) | L3Y | Name: | 4-(methylsulfonyl)benzaldehyde | Formula: | C8 H8 O3 S | SMILES: | CS(c1ccc(C=O)cc1)(=O)=O | InChi: | InChI=1S/C8H8O3S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h2-6H,1H3 | Definition date: | 2019-02-06 | Last modified: | 2020-09-18 | Release date: | 2020-09-23 | Identifier: | 4-(methylsulfonyl)benzaldehyde |
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![N1N N1N](https://data.pdbj.org/pdbjplus/data/cc/svg/N1N.svg) | N1N | Name: | 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-phenylmethoxy-1,3-benzothiazole-6-carboxylic acid | Formula: | C21 H15 Cl2 N3 O4 S | SMILES: | Cc1[nH]c(C(=O)Nc2sc3cc(cc(OCc4ccccc4)c3n2)C(O)=O)c(Cl)c1Cl | InChi: | InChI=1S/C21H15Cl2N3O4S/c1-10-15(22)16(23)18(24-10)19(27)26-21-25-17-13(30-9-11-5-3-2-4-6-11)7-12(20(28)29)8-14(17)31-21/h2-8,24H,9H2,1H3,(H,28,29)(H,25,26,27) | Definition date: | 2019-11-06 | Last modified: | 2020-09-18 | Release date: | 2020-09-23 | Identifier: | 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-phenylmethoxy-1,3-benzothiazole-6-carboxylic acid |
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![N6E N6E](https://data.pdbj.org/pdbjplus/data/cc/svg/N6E.svg) | N6E | Name: | N6-Methyladenosine 5'-triphosphate | Formula: | C11 H18 N5 O13 P3 | SMILES: | CNc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O | InChi: | InChI=1S/C11H18N5O13P3/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(18)7(17)5(27-11)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-5,7-8,11,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1 | Definition date: | 2019-11-14 | Last modified: | 2020-09-18 | Release date: | 2020-09-23 | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-[6-(methylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
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![H8Q H8Q](https://data.pdbj.org/pdbjplus/data/cc/svg/H8Q.svg) | H8Q | Name: | ~{N}-[(3~{S},6~{R},12~{R},15~{S},16~{S},19~{S},22~{S},25~{S})-25-[[(3~{S})-1-azabicyclo[2.2.2]octan-3-yl]sulfanylmethyl]-3-[[4-(dimethylamino)phenyl]methyl]-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptakis(oxidanylidene)-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.0^{6,10}]hexacosan-15-yl]-3-oxidanyl-pyridine-2-carboxamide | Formula: | C53 H67 N9 O10 S | SMILES: | CC[CH]1NC(=O)[CH](NC(=O)c2ncccc2O)[CH](C)OC(=O)[CH](NC(=O)[CH]3CC(=O)[CH](CS[CH]4CN5CCC4CC5)CN3C(=O)[CH](Cc6ccc(cc6)N(C)C)N(C)C(=O)[CH]7CCCN7C1=O)c8ccccc8 | InChi: | InChI=1S/C53H67N9O10S/c1-6-37-50(68)61-23-11-14-38(61)51(69)59(5)40(26-32-16-18-36(19-17-32)58(3)4)52(70)62-28-35(30-73-43-29-60-24-20-33(43)21-25-60)42(64)27-39(62)47(65)57-45(34-12-8-7-9-13-34)53(71)72-31(2)44(48(66)55-37)56-49(67)46-41(63)15-10-22-54-46/h7-10,12-13,15-19,22,31,33,35,37-40,43-45,63H,6,11,14,20-21,23-30H2,1-5H3,(H,55,66)(H,56,67)(H,57,65)/t31-,35+,37+,38+,39-,40-,43+,44-,45-/m0/s1 | Synonyms: | quinupristin | Definition date: | 2018-11-26 | Last modified: | 2020-09-16 | Release date: | 2020-07-08 | Identifier: | ~{N}-[(3~{S},6~{R},12~{R},15~{S},16~{S},19~{S},22~{S},25~{S})-25-[[(3~{S})-1-azabicyclo[2.2.2]octan-3-yl]sulfanylmethyl]-3-[[4-(dimethylamino)phenyl]methyl]-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptakis(oxidanylidene)-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.0^{6,10}]hexacosan-15-yl]-3-oxidanyl-pyridine-2-carboxamide |
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![SNZ SNZ](https://data.pdbj.org/pdbjplus/data/cc/svg/SNZ.svg) | SNZ | Name: | N-(3,4-dihydroxyphenyl)-N'-[2-(3,4-dihydroxyphenyl)ethyl]urea | Formula: | C15 H16 N2 O5 | SMILES: | N(c1cc(c(O)cc1)O)C(=O)NCCc2ccc(c(c2)O)O | InChi: | InChI=1S/C15H16N2O5/c18-11-3-1-9(7-13(11)20)5-6-16-15(22)17-10-2-4-12(19)14(21)8-10/h1-4,7-8,18-21H,5-6H2,(H2,16,17,22) | Definition date: | 2019-09-19 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | N-(3,4-dihydroxyphenyl)-N'-[2-(3,4-dihydroxyphenyl)ethyl]urea |
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![VK7 VK7](https://data.pdbj.org/pdbjplus/data/cc/svg/VK7.svg) | VK7 | Name: | trans-4-[(3aR,9bR)-8-cyano-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid | Formula: | C30 H26 F8 N2 O5 S | SMILES: | c2(c(C(C(F)(F)F)(C(F)(F)F)F)cc1CCC4C(c1c2)(S(c3ccc(cc3)F)(=O)=O)CCN4C(=O)C5CCC(CC5)C(=O)O)C#N | InChi: | InChI=1S/C30H26F8N2O5S/c31-20-6-8-21(9-7-20)46(44,45)27-11-12-40(25(41)16-1-3-17(4-2-16)26(42)43)24(27)10-5-18-13-23(19(15-39)14-22(18)27)28(32,29(33,34)35)30(36,37)38/h6-9,13-14,16-17,24H,1-5,10-12H2,(H,42,43)/t16-,17-,24-,27-/m1/s1 | Definition date: | 2020-08-19 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | trans-4-[(3aR,9bR)-8-cyano-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid |
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![V7Y V7Y](https://data.pdbj.org/pdbjplus/data/cc/svg/V7Y.svg) | V7Y | Name: | 2-amino-N-[(1S)-1-{8-[(1-methyl-1H-pyrazol-4-yl)ethynyl]-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl}ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide | Formula: | C30 H24 N8 O2 | SMILES: | Cn1cc(cn1)C#Cc6cccc2c6C(=O)N(C(=C2)C(C)NC(=O)c4c3ncccn3nc4N)c5ccccc5 | InChi: | InChI=1S/C30H24N8O2/c1-19(34-29(39)26-27(31)35-37-15-7-14-32-28(26)37)24-16-22-9-6-8-21(13-12-20-17-33-36(2)18-20)25(22)30(40)38(24)23-10-4-3-5-11-23/h3-11,14-19H,1-2H3,(H2,31,35)(H,34,39)/t19-/m0/s1 | Definition date: | 2020-07-13 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | 2-amino-N-[(1S)-1-{8-[(1-methyl-1H-pyrazol-4-yl)ethynyl]-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl}ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide |
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![V81 V81](https://data.pdbj.org/pdbjplus/data/cc/svg/V81.svg) | V81 | Name: | 5-[2-amino-3-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[(1S)-1-cyclopropylethyl]-7-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one | Formula: | C24 H22 F3 N7 O | SMILES: | C(F)(F)(c1cc(cc3c1C(=O)N(C(C2CC2)C)C3)c4nc6n(cc4)nc(c6c5cn(C)nc5)N)F | InChi: | InChI=1S/C24H22F3N7O/c1-12(13-3-4-13)33-11-15-7-14(8-17(24(25,26)27)19(15)23(33)35)18-5-6-34-22(30-18)20(21(28)31-34)16-9-29-32(2)10-16/h5-10,12-13H,3-4,11H2,1-2H3,(H2,28,31)/t12-/m0/s1 | Definition date: | 2020-07-13 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | 5-[2-amino-3-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[(1S)-1-cyclopropylethyl]-7-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one |
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![V87 V87](https://data.pdbj.org/pdbjplus/data/cc/svg/V87.svg) | V87 | Name: | N-(4-phenylbutyl)formamide | Formula: | C11 H15 N O | SMILES: | C(NCCCCc1ccccc1)=O | InChi: | InChI=1S/C11H15NO/c13-10-12-9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,12,13) | Definition date: | 2020-07-14 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | N-(4-phenylbutyl)formamide |
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![QSH QSH](https://data.pdbj.org/pdbjplus/data/cc/svg/QSH.svg) | QSH | Name: | 3,5-bis(bromanyl)-4-oxidanyl-benzoic acid | Formula: | C7 H4 Br2 O3 | SMILES: | OC(=O)c1cc(Br)c(O)c(Br)c1 | InChi: | InChI=1S/C7H4Br2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12) | Definition date: | 2020-07-31 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | 3,5-bis(bromanyl)-4-oxidanyl-benzoic acid |
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![QWQ QWQ](https://data.pdbj.org/pdbjplus/data/cc/svg/QWQ.svg) | QWQ | Name: | 4-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine | Formula: | C26 H30 N2 O3 | SMILES: | COc1cc(cc(OC)c1OC)c2cncc(c2C)c3ccc(CN4CCCC4)cc3 | InChi: | InChI=1S/C26H30N2O3/c1-18-22(20-9-7-19(8-10-20)17-28-11-5-6-12-28)15-27-16-23(18)21-13-24(29-2)26(31-4)25(14-21)30-3/h7-10,13-16H,5-6,11-12,17H2,1-4H3 | Definition date: | 2020-08-14 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | 4-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine |
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![P7K P7K](https://data.pdbj.org/pdbjplus/data/cc/svg/P7K.svg) | P7K | Name: | (3~{R})-8-methoxy-3-methyl-3-oxidanyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione | Formula: | C20 H16 O5 | SMILES: | COc1cccc2C(=O)c3c(ccc4C[C](C)(O)CC(=O)c34)C(=O)c12 | InChi: | InChI=1S/C20H16O5/c1-20(24)8-10-6-7-12-17(15(10)13(21)9-20)19(23)11-4-3-5-14(25-2)16(11)18(12)22/h3-7,24H,8-9H2,1-2H3/t20-/m1/s1 | Definition date: | 2020-04-16 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | (3~{R})-8-methoxy-3-methyl-3-oxidanyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione |
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![P7Q P7Q](https://data.pdbj.org/pdbjplus/data/cc/svg/P7Q.svg) | P7Q | Name: | (3~{R})-8-methoxy-3-methyl-3,6-bis(oxidanyl)-2,4-dihydrobenzo[a]anthracene-1,7,12-trione | Formula: | C20 H16 O6 | SMILES: | COc1cccc2C(=O)c3c4C(=O)C[C](C)(O)Cc4cc(O)c3C(=O)c12 | InChi: | InChI=1S/C20H16O6/c1-20(25)7-9-6-11(21)16-17(14(9)12(22)8-20)18(23)10-4-3-5-13(26-2)15(10)19(16)24/h3-6,21,25H,7-8H2,1-2H3/t20-/m1/s1 | Definition date: | 2020-04-16 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | (3~{R})-8-methoxy-3-methyl-3,6-bis(oxidanyl)-2,4-dihydrobenzo[a]anthracene-1,7,12-trione |
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![PJK PJK](https://data.pdbj.org/pdbjplus/data/cc/svg/PJK.svg) | PJK | Name: | (3~{S})-1-[4-chloranyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid | Formula: | C12 H11 Cl F3 N O2 | SMILES: | OC(=O)[CH]1CCN(C1)c2ccc(Cl)c(c2)C(F)(F)F | InChi: | InChI=1S/C12H11ClF3NO2/c13-10-2-1-8(5-9(10)12(14,15)16)17-4-3-7(6-17)11(18)19/h1-2,5,7H,3-4,6H2,(H,18,19)/t7-/m0/s1 | Definition date: | 2020-04-22 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | (3~{S})-1-[4-chloranyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid |
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