![VIH VIH](https://data.pdbj.org/pdbjplus/data/cc/svg/VIH.svg) | VIH | Name: | 7-chloro-4-(cyclopropylmethyl)-1-thioxo-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one | Formula: | C11 H9 Cl N4 O S2 | SMILES: | Clc1sc2C(=O)N(CC3CC3)C4=NNC(=S)N4c2c1 | InChi: | InChI=1S/C11H9ClN4OS2/c12-7-3-6-8(19-7)9(17)15(4-5-1-2-5)10-13-14-11(18)16(6)10/h3,5H,1-2,4H2,(H,14,18) | Definition date: | 2023-03-08 | Last modified: | 2023-08-11 | Release date: | 2023-08-16 | Identifier: | 4-chloranyl-8-(cyclopropylmethyl)-12-sulfanylidene-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),3,9-trien-7-one |
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![VZI VZI](https://data.pdbj.org/pdbjplus/data/cc/svg/VZI.svg) | VZI | Name: | 2-oxidanylidene-~{N}-[[1-[(3-oxidanyl-4-phenoxy-phenyl)methyl]-1,2,3-triazol-4-yl]methyl]chromene-3-carboxamide | Formula: | C26 H20 N4 O5 | SMILES: | Oc1cc(Cn2cc(CNC(=O)C3=Cc4ccccc4OC3=O)nn2)ccc1Oc5ccccc5 | InChi: | InChI=1S/C26H20N4O5/c31-22-12-17(10-11-24(22)34-20-7-2-1-3-8-20)15-30-16-19(28-29-30)14-27-25(32)21-13-18-6-4-5-9-23(18)35-26(21)33/h1-13,16,31H,14-15H2,(H,27,32) | Definition date: | 2023-04-21 | Last modified: | 2023-08-11 | Release date: | 2023-08-16 | Identifier: | 2-oxidanylidene-~{N}-[[1-[(3-oxidanyl-4-phenoxy-phenyl)methyl]-1,2,3-triazol-4-yl]methyl]chromene-3-carboxamide |
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![VZR VZR](https://data.pdbj.org/pdbjplus/data/cc/svg/VZR.svg) | VZR | Name: | 4-methyl-7-[[1-[(3-oxidanyl-4-phenoxy-phenyl)methyl]-1,2,3-triazol-4-yl]methoxy]chromen-2-one | Formula: | C26 H21 N3 O5 | SMILES: | CC1=CC(=O)Oc2cc(OCc3cn(Cc4ccc(Oc5ccccc5)c(O)c4)nn3)ccc12 | InChi: | InChI=1S/C26H21N3O5/c1-17-11-26(31)34-25-13-21(8-9-22(17)25)32-16-19-15-29(28-27-19)14-18-7-10-24(23(30)12-18)33-20-5-3-2-4-6-20/h2-13,15,30H,14,16H2,1H3 | Definition date: | 2023-04-21 | Last modified: | 2023-08-11 | Release date: | 2023-08-16 | Identifier: | 4-methyl-7-[[1-[(3-oxidanyl-4-phenoxy-phenyl)methyl]-1,2,3-triazol-4-yl]methoxy]chromen-2-one |
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![USF USF](https://data.pdbj.org/pdbjplus/data/cc/svg/USF.svg) | USF | Name: | 2-[[8-azanyl-7-fluoranyl-6-(8-methyl-2,3-dihydro-1~{H}-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4~{H}-pyrazolo[1,5-d][1,4]diazepin-7-one | Formula: | C27 H29 F N8 O2 | SMILES: | CC(C)N1CCc2cc(Nc3cc4cc(c(F)c(N)c4cn3)c5cnc6OCCNc6c5C)nn2CC1=O | InChi: | InChI=1S/C27H29FN8O2/c1-14(2)35-6-4-17-10-22(34-36(17)13-23(35)37)33-21-9-16-8-18(24(28)25(29)20(16)12-31-21)19-11-32-27-26(15(19)3)30-5-7-38-27/h8-12,14,30H,4-7,13,29H2,1-3H3,(H,31,33,34) | Synonyms: | 2-[8-Amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-isoquinolin-3-ylamino]-6-isopropyl-5,6-dihydro-4H-1,6,8a-triaza-azulen-7-one | Definition date: | 2023-02-10 | Last modified: | 2023-08-11 | Release date: | 2023-08-16 | Identifier: | 2-[[8-azanyl-7-fluoranyl-6-(8-methyl-2,3-dihydro-1~{H}-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4~{H}-pyrazolo[1,5-d][1,4]diazepin-7-one |
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![UWO UWO](https://data.pdbj.org/pdbjplus/data/cc/svg/UWO.svg) | UWO | Name: | methyl (6~{R})-5-ethanoyl-7-oxidanylidene-6-[4-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-6~{H}-benzo[b][1,4]benzodiazepine-2-carboxylate | Formula: | C24 H21 F3 N2 O4 | SMILES: | COC(=O)c1ccc2N([CH](c3ccc(cc3)C(F)(F)F)C4=C(CCCC4=O)Nc2c1)C(C)=O | InChi: | InChI=1S/C24H21F3N2O4/c1-13(30)29-19-11-8-15(23(32)33-2)12-18(19)28-17-4-3-5-20(31)21(17)22(29)14-6-9-16(10-7-14)24(25,26)27/h6-12,22,28H,3-5H2,1-2H3/t22-/m1/s1 | Definition date: | 2023-06-23 | Last modified: | 2023-08-11 | Release date: | 2023-08-16 | Identifier: | methyl (6~{R})-5-ethanoyl-7-oxidanylidene-6-[4-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-6~{H}-benzo[b][1,4]benzodiazepine-2-carboxylate |
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![IKD IKD](https://data.pdbj.org/pdbjplus/data/cc/svg/IKD.svg) | IKD | Name: | 2-[4-[[4-[(3-~{tert}-butyl-1~{H}-pyrazol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]ethanenitrile | Formula: | C19 H21 N7 | SMILES: | CC(C)(C)c1cc([nH]n1)Nc2ccnc(Nc3ccc(CC#N)cc3)n2 | InChi: | InChI=1S/C19H21N7/c1-19(2,3)15-12-17(26-25-15)23-16-9-11-21-18(24-16)22-14-6-4-13(5-7-14)8-10-20/h4-7,9,11-12H,8H2,1-3H3,(H3,21,22,23,24,25,26) | Definition date: | 2023-08-01 | Last modified: | 2023-08-11 | Release date: | 2023-08-16 | Identifier: | 2-[4-[[4-[(3-~{tert}-butyl-1~{H}-pyrazol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]ethanenitrile |
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![IUX IUX](https://data.pdbj.org/pdbjplus/data/cc/svg/IUX.svg) | IUX | Name: | ~{N}-[(1~{S})-1,2,2-trimethylcyclopropyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide | Formula: | C14 H17 N3 O | SMILES: | CC1(C)C[C]1(C)NC(=O)c2cc3cccn3cn2 | InChi: | InChI=1S/C14H17N3O/c1-13(2)8-14(13,3)16-12(18)11-7-10-5-4-6-17(10)9-15-11/h4-7,9H,8H2,1-3H3,(H,16,18)/t14-/m0/s1 | Definition date: | 2022-04-13 | Last modified: | 2023-08-11 | Release date: | 2023-08-16 | Identifier: | ~{N}-[(1~{S})-1,2,2-trimethylcyclopropyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide |
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![YXW YXW](https://data.pdbj.org/pdbjplus/data/cc/svg/YXW.svg) | YXW | Name: | 3-fluoro-N-({(1r,4r)-4-[(2-fluorophenoxy)methyl]-1-hydroxycyclohexyl}methyl)-4-hydroxybenzamide | Formula: | C21 H23 F2 N O4 | SMILES: | OC1(CNC(=O)c2ccc(O)c(F)c2)CCC(CC1)COc1ccccc1F | InChi: | InChI=1S/C21H23F2NO4/c22-16-3-1-2-4-19(16)28-12-14-7-9-21(27,10-8-14)13-24-20(26)15-5-6-18(25)17(23)11-15/h1-6,11,14,25,27H,7-10,12-13H2,(H,24,26)/t14-,21- | Definition date: | 2023-03-03 | Last modified: | 2023-08-04 | Release date: | 2023-08-09 | Identifier: | 3-fluoro-N-({(1r,4r)-4-[(2-fluorophenoxy)methyl]-1-hydroxycyclohexyl}methyl)-4-hydroxybenzamide |
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![Y0E Y0E](https://data.pdbj.org/pdbjplus/data/cc/svg/Y0E.svg) | Y0E | Name: | N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide | Formula: | C30 H27 N3 O2 | SMILES: | CC(NC(=O)C(N(C(=O)C=C)c1ccc(cc1)c1ccccc1)c1cccnc1)c1ccccc1 | InChi: | InChI=1S/C30H27N3O2/c1-3-28(34)33(27-18-16-25(17-19-27)24-13-8-5-9-14-24)29(26-15-10-20-31-21-26)30(35)32-22(2)23-11-6-4-7-12-23/h3-22,29H,1H2,2H3,(H,32,35)/t22-,29+/m0/s1 | Definition date: | 2022-12-19 | Last modified: | 2023-08-04 | Release date: | 2023-08-09 | Identifier: | N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide |
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![YYC YYC](https://data.pdbj.org/pdbjplus/data/cc/svg/YYC.svg) | YYC | Name: | 4-{[2,5-dimethyl-3-(4-methylbenzene-1-sulfonyl)benzene-1-sulfonyl]amino}benzoic acid | Formula: | C22 H21 N O6 S2 | SMILES: | Cc1c(cc(C)cc1S(=O)(=O)Nc1ccc(cc1)C(=O)O)S(=O)(=O)c1ccc(C)cc1 | InChi: | InChI=1S/C22H21NO6S2/c1-14-4-10-19(11-5-14)30(26,27)20-12-15(2)13-21(16(20)3)31(28,29)23-18-8-6-17(7-9-18)22(24)25/h4-13,23H,1-3H3,(H,24,25) | Definition date: | 2023-03-03 | Last modified: | 2023-08-04 | Release date: | 2023-08-09 | Identifier: | 4-{[2,5-dimethyl-3-(4-methylbenzene-1-sulfonyl)benzene-1-sulfonyl]amino}benzoic acid |
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![Y0I Y0I](https://data.pdbj.org/pdbjplus/data/cc/svg/Y0I.svg) | Y0I | Name: | (3Z)-N-([1,1'-biphenyl]-4-yl)-3-imino-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]propanamide | Formula: | C30 H28 N4 O2 | SMILES: | CC(NC(=O)C(N(C(=O)CC=N)c1ccc(cc1)c1ccccc1)c1cccnc1)c1ccccc1 | InChi: | InChI=1S/C30H28N4O2/c1-22(23-9-4-2-5-10-23)33-30(36)29(26-13-8-20-32-21-26)34(28(35)18-19-31)27-16-14-25(15-17-27)24-11-6-3-7-12-24/h2-17,19-22,29,31H,18H2,1H3,(H,33,36)/t22-,29+/m0/s1 | Definition date: | 2022-12-19 | Last modified: | 2023-08-04 | Release date: | 2023-08-09 | Identifier: | (3Z)-N-([1,1'-biphenyl]-4-yl)-3-imino-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]propanamide |
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![Y1E Y1E](https://data.pdbj.org/pdbjplus/data/cc/svg/Y1E.svg) | Y1E | Name: | N-([1,1'-biphenyl]-4-yl)-N-[(1S)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide | Formula: | C30 H27 N3 O2 | SMILES: | CC(NC(=O)C(N(C(=O)C=C)c1ccc(cc1)c1ccccc1)c1cccnc1)c1ccccc1 | InChi: | InChI=1S/C30H27N3O2/c1-3-28(34)33(27-18-16-25(17-19-27)24-13-8-5-9-14-24)29(26-15-10-20-31-21-26)30(35)32-22(2)23-11-6-4-7-12-23/h3-22,29H,1H2,2H3,(H,32,35)/t22-,29-/m0/s1 | Definition date: | 2022-12-21 | Last modified: | 2023-08-04 | Release date: | 2023-08-09 | Identifier: | N-([1,1'-biphenyl]-4-yl)-N-[(1S)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide |
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![ZQB ZQB](https://data.pdbj.org/pdbjplus/data/cc/svg/ZQB.svg) | ZQB | Name: | Pomotrelvir bound form | Formula: | C23 H28 Cl N5 O3 | SMILES: | Clc1cccc2cc([NH]c21)C(=O)NC(CC1CC1)C(=O)NC(CC1CCCNC1=O)C=N | InChi: | InChI=1S/C23H28ClN5O3/c24-17-5-1-3-14-11-19(28-20(14)17)23(32)29-18(9-13-6-7-13)22(31)27-16(12-25)10-15-4-2-8-26-21(15)30/h1,3,5,11-13,15-16,18,25,28H,2,4,6-10H2,(H,26,30)(H,27,31)(H,29,32)/b25-12-/t15-,16-,18-/m0/s1 | Definition date: | 2023-06-30 | Last modified: | 2023-08-04 | Release date: | 2023-08-09 | Identifier: | 7-chloro-N-[(2S)-3-cyclopropyl-1-({(1Z,2S)-1-imino-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide |
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![ZQH ZQH](https://data.pdbj.org/pdbjplus/data/cc/svg/ZQH.svg) | ZQH | Name: | [(4R)-4-amino-3,3-dimethylpiperidin-1-yl][(1S,3R,5R,6Z,7S)-3-phenyl-6-(2-phenylethylidene)adamantan-1-yl]methanone | Formula: | C32 H40 N2 O | SMILES: | CC1(C)CN(CCC1N)C(=O)C12CC3CC(CC(C1)C/3=CCc1ccccc1)(C2)c1ccccc1 | InChi: | InChI=1S/C32H40N2O/c1-30(2)22-34(16-15-28(30)33)29(35)32-19-24-17-31(21-32,26-11-7-4-8-12-26)18-25(20-32)27(24)14-13-23-9-5-3-6-10-23/h3-12,14,24-25,28H,13,15-22,33H2,1-2H3/b27-14-/t24-,25+,28+,31+,32-/m0/s1 | Definition date: | 2023-07-01 | Last modified: | 2023-08-04 | Release date: | 2023-08-09 | Identifier: | [(4R)-4-amino-3,3-dimethylpiperidin-1-yl][(1S,3R,5R,6Z,7S)-3-phenyl-6-(2-phenylethylidene)adamantan-1-yl]methanone |
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![ZR5 ZR5](https://data.pdbj.org/pdbjplus/data/cc/svg/ZR5.svg) | ZR5 | Name: | N-(1,3-benzothiazol-2-yl)-4-{[(2-hydroxy-3-methoxyphenyl)methyl]amino}benzene-1-sulfonamide | Formula: | C21 H19 N3 O4 S2 | SMILES: | COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3ccccc3s2)c1O | InChi: | InChI=1S/C21H19N3O4S2/c1-28-18-7-4-5-14(20(18)25)13-22-15-9-11-16(12-10-15)30(26,27)24-21-23-17-6-2-3-8-19(17)29-21/h2-12,22,25H,13H2,1H3,(H,23,24) | Definition date: | 2023-03-22 | Last modified: | 2023-08-04 | Release date: | 2023-08-09 | Identifier: | N-(1,3-benzothiazol-2-yl)-4-{[(2-hydroxy-3-methoxyphenyl)methyl]amino}benzene-1-sulfonamide |
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![YOZ YOZ](https://data.pdbj.org/pdbjplus/data/cc/svg/YOZ.svg) | YOZ | Name: | (2S,5R)-5-amino-1-formyl-5-hydroxy-N-(piperidin-4-yl)piperidine-2-carboxamide | Formula: | C12 H22 N4 O3 | SMILES: | OC1(N)CCC(C(=O)NC2CCNCC2)N(C=O)C1 | InChi: | InChI=1S/C12H22N4O3/c13-12(19)4-1-10(16(7-12)8-17)11(18)15-9-2-5-14-6-3-9/h8-10,14,19H,1-7,13H2,(H,15,18)/t10-,12+/m0/s1 | Synonyms: | Relebactam, the acylated, desulfated, imine-hydrolysis intermediate | Definition date: | 2023-02-15 | Last modified: | 2023-08-04 | Release date: | 2023-08-09 | Identifier: | (2S,5R)-5-amino-1-formyl-5-hydroxy-N-(piperidin-4-yl)piperidine-2-carboxamide |
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![ZTL ZTL](https://data.pdbj.org/pdbjplus/data/cc/svg/ZTL.svg) | ZTL | Name: | (1R,2s,3S,5s,7s)-N-[(1r,4r)-4-(aminomethyl)cyclohexyl]-5-phenyladamantane-2-carboxamide | Formula: | C24 H34 N2 O | SMILES: | O=C(NC1CCC(CC1)CN)C1C2CC3CC1CC(C3)(C2)c1ccccc1 | InChi: | InChI=1S/C24H34N2O/c25-15-16-6-8-21(9-7-16)26-23(27)22-18-10-17-11-19(22)14-24(12-17,13-18)20-4-2-1-3-5-20/h1-5,16-19,21-22H,6-15,25H2,(H,26,27)/t16-,17-,18-,19+,21-,22-,24- | Definition date: | 2023-07-04 | Last modified: | 2023-08-04 | Release date: | 2023-08-09 | Identifier: | (1R,2s,3S,5s,7s)-N-[(1r,4r)-4-(aminomethyl)cyclohexyl]-5-phenyladamantane-2-carboxamide |
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![ZHF ZHF](https://data.pdbj.org/pdbjplus/data/cc/svg/ZHF.svg) | ZHF | Name: | N-[(2S)-1-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-1-oxopentan-2-yl]-3-[(1H-imidazol-1-yl)methyl]benzamide | Formula: | C23 H26 N4 O2 S | SMILES: | CCCC(NC(=O)c1cccc(Cn2ccnc2)c1)C(=O)N1CCc2sccc2C1 | InChi: | InChI=1S/C23H26N4O2S/c1-2-4-20(23(29)27-10-7-21-19(15-27)8-12-30-21)25-22(28)18-6-3-5-17(13-18)14-26-11-9-24-16-26/h3,5-6,8-9,11-13,16,20H,2,4,7,10,14-15H2,1H3,(H,25,28)/t20-/m0/s1 | Definition date: | 2023-06-23 | Last modified: | 2023-08-04 | Release date: | 2023-08-09 | Identifier: | N-[(2S)-1-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-1-oxopentan-2-yl]-3-[(1H-imidazol-1-yl)methyl]benzamide |
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![L6N L6N](https://data.pdbj.org/pdbjplus/data/cc/svg/L6N.svg) | L6N | Name: | (2~{R},3~{R},4~{S},5~{S},6~{R})-6-(methoxymethyl)oxane-2,3,4,5-tetrol | Formula: | C7 H14 O6 | SMILES: | COC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C7H14O6/c1-12-2-3-4(8)5(9)6(10)7(11)13-3/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1 | Definition date: | 2022-11-14 | Last modified: | 2023-08-04 | Release date: | 2023-08-09 | Identifier: | (2~{R},3~{R},4~{S},5~{S},6~{R})-6-(methoxymethyl)oxane-2,3,4,5-tetrol |
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![KKB KKB](https://data.pdbj.org/pdbjplus/data/cc/svg/KKB.svg) | KKB | Name: | Seladelpar | Formula: | C21 H23 F3 O5 S | SMILES: | CCO[CH](COc1ccc(cc1)C(F)(F)F)CSc2ccc(OCC(O)=O)c(C)c2 | InChi: | InChI=1S/C21H23F3O5S/c1-3-27-17(11-28-16-6-4-15(5-7-16)21(22,23)24)13-30-18-8-9-19(14(2)10-18)29-12-20(25)26/h4-10,17H,3,11-13H2,1-2H3,(H,25,26)/t17-/m1/s1 | Definition date: | 2019-05-30 | Last modified: | 2023-08-04 | Release date: | 2023-08-09 | Identifier: | 2-[4-[(2~{R})-2-ethoxy-3-[4-(trifluoromethyl)phenoxy]propyl]sulfanyl-2-methyl-phenoxy]ethanoic acid |
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![9QM 9QM](https://data.pdbj.org/pdbjplus/data/cc/svg/9QM.svg) | 9QM | Name: | 8-fluoranyl-3-[4-(4-fluoranylphenoxy)phenyl]-2-(4-methylpiperazin-1-yl)quinazolin-4-one | Formula: | C25 H22 F2 N4 O2 | SMILES: | CN1CCN(CC1)C2=Nc3c(F)cccc3C(=O)N2c4ccc(Oc5ccc(F)cc5)cc4 | InChi: | InChI=1S/C25H22F2N4O2/c1-29-13-15-30(16-14-29)25-28-23-21(3-2-4-22(23)27)24(32)31(25)18-7-11-20(12-8-18)33-19-9-5-17(26)6-10-19/h2-12H,13-16H2,1H3 | Definition date: | 2023-04-18 | Last modified: | 2023-08-04 | Release date: | 2023-08-09 | Identifier: | 8-fluoranyl-3-[4-(4-fluoranylphenoxy)phenyl]-2-(4-methylpiperazin-1-yl)quinazolin-4-one |
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![OZI OZI](https://data.pdbj.org/pdbjplus/data/cc/svg/OZI.svg) | OZI | Name: | (2~{S})-4-(2-chloranylethanoyl)-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide | Formula: | C18 H18 Cl3 N3 O2 S | SMILES: | ClCC(=O)N1CCN([CH](C1)C(=O)NCc2sccc2)c3ccc(Cl)c(Cl)c3 | InChi: | InChI=1S/C18H18Cl3N3O2S/c19-9-17(25)23-5-6-24(12-3-4-14(20)15(21)8-12)16(11-23)18(26)22-10-13-2-1-7-27-13/h1-4,7-8,16H,5-6,9-11H2,(H,22,26)/t16-/m0/s1 | Definition date: | 2022-09-28 | Last modified: | 2023-08-04 | Release date: | 2023-08-09 | Identifier: | (2~{S})-4-(2-chloranylethanoyl)-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide |
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![OIQ OIQ](https://data.pdbj.org/pdbjplus/data/cc/svg/OIQ.svg) | OIQ | Name: | [(1R,3R,4R,7S)-5-[(E)-N,N'-dimethylcarbamimidoyl]-3-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-7-oxidanyl-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methyl dihydrogen phosphate | Formula: | C14 H22 N5 O8 P | SMILES: | CNC(=NC)N1C[C]2(CO[P](O)(O)=O)O[CH]([CH]1[CH]2O)N3C=C(C)C(=O)NC3=O | InChi: | InChI=1S/C14H22N5O8P/c1-7-4-18(13(22)17-10(7)21)11-8-9(20)14(27-11,6-26-28(23,24)25)5-19(8)12(15-2)16-3/h4,8-9,11,20H,5-6H2,1-3H3,(H,15,16)(H,17,21,22)(H2,23,24,25)/t8-,9+,11-,14-/m1/s1 | Definition date: | 2023-02-02 | Last modified: | 2023-08-04 | Release date: | 2023-08-09 | Identifier: | [(1~{R},3~{R},4~{R},7~{S})-5-[(~{E})-~{N},~{N}'-dimethylcarbamimidoyl]-3-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-7-oxidanyl-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methyl dihydrogen phosphate |
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![MUO MUO](https://data.pdbj.org/pdbjplus/data/cc/svg/MUO.svg) | MUO | Name: | 2-[2,6-dimethyl-4-[(~{E})-3-(4-methylsulfanylphenyl)-3-oxidanylidene-prop-1-enyl]phenoxy]-2-methyl-propanoic acid | Formula: | C22 H24 O4 S | SMILES: | CSc1ccc(cc1)C(=O)C=Cc2cc(C)c(OC(C)(C)C(O)=O)c(C)c2 | InChi: | InChI=1S/C22H24O4S/c1-14-12-16(13-15(2)20(14)26-22(3,4)21(24)25)6-11-19(23)17-7-9-18(27-5)10-8-17/h6-13H,1-5H3,(H,24,25)/b11-6+ | Synonyms: | elafibranor | Definition date: | 2023-01-05 | Last modified: | 2023-08-04 | Release date: | 2023-08-09 | Identifier: | 2-[2,6-dimethyl-4-[(~{E})-3-(4-methylsulfanylphenyl)-3-oxidanylidene-prop-1-enyl]phenoxy]-2-methyl-propanoic acid |
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![F5W F5W](https://data.pdbj.org/pdbjplus/data/cc/svg/F5W.svg) | F5W | Name: | 2-propyl-2-azoniatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,7-trien-8-amine | Formula: | C14 H21 N2 | SMILES: | CCC[n+]1c2CCCc2c(N)c3CCCc13 | InChi: | InChI=1S/C14H20N2/c1-2-9-16-12-7-3-5-10(12)14(15)11-6-4-8-13(11)16/h15H,2-9H2,1H3/p+1 | Synonyms: | 2-Propyl-2-azoniatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-amine | Definition date: | 2023-06-28 | Last modified: | 2023-08-04 | Release date: | 2023-08-09 | Identifier: | 2-propyl-2-azoniatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,7-trien-8-amine |
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