![9T4 9T4](https://data.pdbj.org/pdbjplus/data/cc/svg/9T4.svg) | 9T4 | Name: | (4R)-N-[2,5-bis(chloranyl)phenyl]-4-(furan-2-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide | Formula: | C21 H18 Cl2 N2 O3 | SMILES: | CC1=C([CH](c2occc2)C3=C(CCCC3=O)N1)C(=O)Nc4cc(Cl)ccc4Cl | InChi: | InChI=1S/C21H18Cl2N2O3/c1-11-18(21(27)25-15-10-12(22)7-8-13(15)23)20(17-6-3-9-28-17)19-14(24-11)4-2-5-16(19)26/h3,6-10,20,24H,2,4-5H2,1H3,(H,25,27)/t20-/m0/s1 | Definition date: | 2023-04-19 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | (4~{R})-~{N}-[2,5-bis(chloranyl)phenyl]-4-(furan-2-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1~{H}-quinoline-3-carboxamide |
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![9UJ 9UJ](https://data.pdbj.org/pdbjplus/data/cc/svg/9UJ.svg) | 9UJ | Name: | (2R,4R)-2-(2-chlorophenyl)-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbonyl-1,3-thiazolidine-4-carboxylic acid | Formula: | C22 H19 Cl N2 O4 S | SMILES: | Cc1onc(C)c1c2ccc(cc2)C(=O)N3[CH](CS[CH]3c4ccccc4Cl)C(O)=O | InChi: | InChI=1S/C22H19ClN2O4S/c1-12-19(13(2)29-24-12)14-7-9-15(10-8-14)20(26)25-18(22(27)28)11-30-21(25)16-5-3-4-6-17(16)23/h3-10,18,21H,11H2,1-2H3,(H,27,28)/t18-,21+/m0/s1 | Synonyms: | TUG-1375 | Definition date: | 2023-04-20 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | (2~{R},4~{R})-2-(2-chlorophenyl)-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbonyl-1,3-thiazolidine-4-carboxylic acid |
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![A1ABA A1ABA](https://data.pdbj.org/pdbjplus/data/cc/svg/A1ABA.svg) | A1ABA | Name: | [2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]methanol | Formula: | C12 H14 F3 N O2 | SMILES: | FC(F)(F)c1cc(CO)c(cc1)N1CCOCC1 | InChi: | InChI=1S/C12H14F3NO2/c13-12(14,15)10-1-2-11(9(7-10)8-17)16-3-5-18-6-4-16/h1-2,7,17H,3-6,8H2 | Definition date: | 2024-01-04 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | [2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]methanol |
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![A1ABE A1ABE](https://data.pdbj.org/pdbjplus/data/cc/svg/A1ABE.svg) | A1ABE | Name: | (3M)-3-(furan-2-yl)benzoic acid | Formula: | C11 H8 O3 | SMILES: | O=C(O)c1cccc(c1)c1ccco1 | InChi: | InChI=1S/C11H8O3/c12-11(13)9-4-1-3-8(7-9)10-5-2-6-14-10/h1-7H,(H,12,13) | Definition date: | 2024-01-04 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | (3M)-3-(furan-2-yl)benzoic acid |
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![A1ABF A1ABF](https://data.pdbj.org/pdbjplus/data/cc/svg/A1ABF.svg) | A1ABF | Name: | 4-[(pyridin-2-yl)oxy]benzonitrile | Formula: | C12 H8 N2 O | SMILES: | N#Cc1ccc(cc1)Oc1ccccn1 | InChi: | InChI=1S/C12H8N2O/c13-9-10-4-6-11(7-5-10)15-12-3-1-2-8-14-12/h1-8H | Definition date: | 2024-01-04 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | 4-[(pyridin-2-yl)oxy]benzonitrile |
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![A1ABQ A1ABQ](https://data.pdbj.org/pdbjplus/data/cc/svg/A1ABQ.svg) | A1ABQ | Name: | (5S)-N-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine | Formula: | C10 H11 F N2 S | SMILES: | CC1CN=C(Nc2ccc(F)cc2)S1 | InChi: | InChI=1S/C10H11FN2S/c1-7-6-12-10(14-7)13-9-4-2-8(11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13)/t7-/m0/s1 | Definition date: | 2024-01-04 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | (5S)-N-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine |
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![A1ABU A1ABU](https://data.pdbj.org/pdbjplus/data/cc/svg/A1ABU.svg) | A1ABU | Name: | 1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one | Formula: | C13 H17 N3 O | SMILES: | O=C1NCN(c2ccccc2)C21CCNCC2 | InChi: | InChI=1S/C13H17N3O/c17-12-13(6-8-14-9-7-13)16(10-15-12)11-4-2-1-3-5-11/h1-5,14H,6-10H2,(H,15,17) | Definition date: | 2024-01-04 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | 1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one |
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![A1ABV A1ABV](https://data.pdbj.org/pdbjplus/data/cc/svg/A1ABV.svg) | A1ABV | Name: | (4S)-4-hydroxy-2-(propan-2-yl)-3,4-dihydro-1lambda~6~,2-benzothiazine-1,1(2H)-dione | Formula: | C11 H15 N O3 S | SMILES: | CC(C)N1CC(O)c2ccccc2S1(=O)=O | InChi: | InChI=1S/C11H15NO3S/c1-8(2)12-7-10(13)9-5-3-4-6-11(9)16(12,14)15/h3-6,8,10,13H,7H2,1-2H3/t10-/m1/s1 | Definition date: | 2024-01-04 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | (4S)-4-hydroxy-2-(propan-2-yl)-3,4-dihydro-1lambda~6~,2-benzothiazine-1,1(2H)-dione |
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![A1ABY A1ABY](https://data.pdbj.org/pdbjplus/data/cc/svg/A1ABY.svg) | A1ABY | Name: | 1-{(1S,4R,5S,6R)-6-hydroxy-4-[(pyridin-2-yl)oxy]-2-azabicyclo[3.3.1]nonan-2-yl}ethan-1-one | Formula: | C15 H20 N2 O3 | SMILES: | CC(=O)N1CC(Oc2ccccn2)C2CC1CCC2O | InChi: | InChI=1S/C15H20N2O3/c1-10(18)17-9-14(20-15-4-2-3-7-16-15)12-8-11(17)5-6-13(12)19/h2-4,7,11-14,19H,5-6,8-9H2,1H3/t11-,12-,13+,14-/m0/s1 | Definition date: | 2024-01-04 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | 1-{(1S,4R,5S,6R)-6-hydroxy-4-[(pyridin-2-yl)oxy]-2-azabicyclo[3.3.1]nonan-2-yl}ethan-1-one |
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![A1ACE A1ACE](https://data.pdbj.org/pdbjplus/data/cc/svg/A1ACE.svg) | A1ACE | Name: | (4aR,4bS,5R,6aS,6bS,8R,9aR,10aR,10bR)-8-{4-[(3-aminophenyl)methyl]phenyl}-5-hydroxy-6b-(hydroxyacetyl)-4a,6a-dimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one | Formula: | C35 H39 N O6 | SMILES: | Nc1cccc(c1)Cc1ccc(cc1)C1OC2CC3C4CCC5=CC(=O)C=CC5(C)C4C(O)CC3(C)C2(O1)C(=O)CO | InChi: | InChI=1S/C35H39NO6/c1-33-13-12-25(38)16-23(33)10-11-26-27-17-30-35(29(40)19-37,34(27,2)18-28(39)31(26)33)42-32(41-30)22-8-6-20(7-9-22)14-21-4-3-5-24(36)15-21/h3-9,12-13,15-16,26-28,30-32,37,39H,10-11,14,17-19,36H2,1-2H3/t26-,27-,28+,30+,31+,32+,33-,34-,35+/m0/s1 | Definition date: | 2024-01-11 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | (4aR,4bS,5R,6aS,6bS,8R,9aR,10aR,10bR)-8-{4-[(3-aminophenyl)methyl]phenyl}-5-hydroxy-6b-(hydroxyacetyl)-4a,6a-dimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one |
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![A1ACJ A1ACJ](https://data.pdbj.org/pdbjplus/data/cc/svg/A1ACJ.svg) | A1ACJ | Name: | (2P)-2-[3-bromo-2-(2-hydroxyethoxy)phenyl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide | Formula: | C17 H15 Br N4 O6 | SMILES: | O=C(Nc1conc1)C=1N=C(c2cccc(Br)c2OCCO)N(C)C(=O)C=1O | InChi: | InChI=1S/C17H15BrN4O6/c1-22-15(10-3-2-4-11(18)14(10)27-6-5-23)21-12(13(24)17(22)26)16(25)20-9-7-19-28-8-9/h2-4,7-8,23-24H,5-6H2,1H3,(H,20,25) | Definition date: | 2024-01-12 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | (2P)-2-[3-bromo-2-(2-hydroxyethoxy)phenyl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide |
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![JVX JVX](https://data.pdbj.org/pdbjplus/data/cc/svg/JVX.svg) | JVX | Name: | N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)-2-chloroacetamide | Formula: | C23 H30 Cl N3 O2 | SMILES: | CC(C)(C)c1ccc(cc1)N(C(=O)CCl)C(c1cccnc1)C(=O)NC(C)(C)C | InChi: | InChI=1S/C23H30ClN3O2/c1-22(2,3)17-9-11-18(12-10-17)27(19(28)14-24)20(16-8-7-13-25-15-16)21(29)26-23(4,5)6/h7-13,15,20H,14H2,1-6H3,(H,26,29)/t20-/m1/s1 | Definition date: | 2023-08-09 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)-2-chloroacetamide |
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![JWI JWI](https://data.pdbj.org/pdbjplus/data/cc/svg/JWI.svg) | JWI | Name: | N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-3-hydroxypropanamide | Formula: | C26 H35 N3 O3 | SMILES: | CC(C)(C)c1ccc(cc1)N(C(=O)CCO)C(c1cccnc1)C(=O)NC1CCCCC1 | InChi: | InChI=1S/C26H35N3O3/c1-26(2,3)20-11-13-22(14-12-20)29(23(31)15-17-30)24(19-8-7-16-27-18-19)25(32)28-21-9-5-4-6-10-21/h7-8,11-14,16,18,21,24,30H,4-6,9-10,15,17H2,1-3H3,(H,28,32)/t24-/m1/s1 | Definition date: | 2023-08-09 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-3-hydroxypropanamide |
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![JWO JWO](https://data.pdbj.org/pdbjplus/data/cc/svg/JWO.svg) | JWO | Name: | N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-2-hydroxy-2-methylpropanamide | Formula: | C27 H37 N3 O3 | SMILES: | CC(C)(C)c1ccc(cc1)N(C(=O)C(C)(C)O)C(c1cccnc1)C(=O)NC1CCCCC1 | InChi: | InChI=1S/C27H37N3O3/c1-26(2,3)20-13-15-22(16-14-20)30(25(32)27(4,5)33)23(19-10-9-17-28-18-19)24(31)29-21-11-7-6-8-12-21/h9-10,13-18,21,23,33H,6-8,11-12H2,1-5H3,(H,29,31)/t23-/m1/s1 | Definition date: | 2023-08-09 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-2-hydroxy-2-methylpropanamide |
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![NJ6 NJ6](https://data.pdbj.org/pdbjplus/data/cc/svg/NJ6.svg) | NJ6 | Name: | 2-[(4-azanylcyclohexyl)amino]-7-cyclopentyl-~{N},~{N}-dimethyl-pyrrolo[2,3-d]pyrimidine-6-carboxamide | Formula: | C20 H30 N6 O | SMILES: | CN(C)C(=O)c1cc2cnc(N[CH]3CC[CH](N)CC3)nc2n1C4CCCC4 | InChi: | InChI=1S/C20H30N6O/c1-25(2)19(27)17-11-13-12-22-20(23-15-9-7-14(21)8-10-15)24-18(13)26(17)16-5-3-4-6-16/h11-12,14-16H,3-10,21H2,1-2H3,(H,22,23,24)/t14-,15- | Definition date: | 2023-01-17 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | 2-[(4-azanylcyclohexyl)amino]-7-cyclopentyl-~{N},~{N}-dimethyl-pyrrolo[2,3-d]pyrimidine-6-carboxamide |
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![A1LWV A1LWV](https://data.pdbj.org/pdbjplus/data/cc/svg/A1LWV.svg) | A1LWV | Name: | (2~{S})-2-azanyl-6-(5-oxidanylidenepentanoylamino)hexanoic acid | Formula: | C11 H20 N2 O4 | SMILES: | N[CH](CCCCNC(=O)CCCC=O)C(O)=O | InChi: | InChI=1S/C11H20N2O4/c12-9(11(16)17)5-1-3-7-13-10(15)6-2-4-8-14/h8-9H,1-7,12H2,(H,13,15)(H,16,17)/t9-/m0/s1 | Definition date: | 2024-01-18 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | (2~{S})-2-azanyl-6-(5-oxidanylidenepentanoylamino)hexanoic acid |
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![JJC JJC](https://data.pdbj.org/pdbjplus/data/cc/svg/JJC.svg) | JJC | Name: | N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-[4-(2-chloroacetamido)phenyl]furan-2-carboxamide | Formula: | C27 H23 Cl N4 O4 | SMILES: | O=C(N(C(c1cccnc1)C(=O)NCc1ccccc1)c1ccc(NC(=O)CCl)cc1)c1ccco1 | InChi: | InChI=1S/C27H23ClN4O4/c28-16-24(33)31-21-10-12-22(13-11-21)32(27(35)23-9-5-15-36-23)25(20-8-4-14-29-18-20)26(34)30-17-19-6-2-1-3-7-19/h1-15,18,25H,16-17H2,(H,30,34)(H,31,33)/t25-/m1/s1 | Definition date: | 2023-08-07 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-[4-(2-chloroacetamido)phenyl]furan-2-carboxamide |
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![JJO JJO](https://data.pdbj.org/pdbjplus/data/cc/svg/JJO.svg) | JJO | Name: | N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-[3-(2-chloroacetamido)phenyl]furan-2-carboxamide | Formula: | C27 H23 Cl N4 O4 | SMILES: | O=C(N(C(c1cccnc1)C(=O)NCc1ccccc1)c1cccc(NC(=O)CCl)c1)c1ccco1 | InChi: | InChI=1S/C27H23ClN4O4/c28-16-24(33)31-21-10-4-11-22(15-21)32(27(35)23-12-6-14-36-23)25(20-9-5-13-29-18-20)26(34)30-17-19-7-2-1-3-8-19/h1-15,18,25H,16-17H2,(H,30,34)(H,31,33)/t25-/m1/s1 | Definition date: | 2023-08-07 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-[3-(2-chloroacetamido)phenyl]furan-2-carboxamide |
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![JK0 JK0](https://data.pdbj.org/pdbjplus/data/cc/svg/JK0.svg) | JK0 | Name: | N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)-3-hydroxypropanamide | Formula: | C27 H31 N3 O3 | SMILES: | CC(C)(C)c1ccc(cc1)N(C(=O)CCO)C(c1cccnc1)C(=O)NCc1ccccc1 | InChi: | InChI=1S/C27H31N3O3/c1-27(2,3)22-11-13-23(14-12-22)30(24(32)15-17-31)25(21-10-7-16-28-19-21)26(33)29-18-20-8-5-4-6-9-20/h4-14,16,19,25,31H,15,17-18H2,1-3H3,(H,29,33)/t25-/m1/s1 | Definition date: | 2023-08-07 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)-3-hydroxypropanamide |
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![JKL JKL](https://data.pdbj.org/pdbjplus/data/cc/svg/JKL.svg) | JKL | Name: | (3R)-N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-3-hydroxybutanamide | Formula: | C27 H37 N3 O3 | SMILES: | CC(C)(C)c1ccc(cc1)N(C(=O)CC(C)O)C(c1cccnc1)C(=O)NC1CCCCC1 | InChi: | InChI=1S/C27H37N3O3/c1-19(31)17-24(32)30(23-14-12-21(13-15-23)27(2,3)4)25(20-9-8-16-28-18-20)26(33)29-22-10-6-5-7-11-22/h8-9,12-16,18-19,22,25,31H,5-7,10-11,17H2,1-4H3,(H,29,33)/t19-,25-/m1/s1 | Definition date: | 2023-08-07 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | (3R)-N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-3-hydroxybutanamide |
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![Q30 Q30](https://data.pdbj.org/pdbjplus/data/cc/svg/Q30.svg) | Q30 | Name: | 3-[(3S,5S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,5,14-tris(oxidanyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one | Formula: | C23 H34 O5 | SMILES: | C[C]12CC[CH](O)C[C]1(O)CC[CH]3[CH]2CC[C]4(C)[CH](CC[C]34O)C5=CC(=O)OC5 | InChi: | InChI=1S/C23H34O5/c1-20-7-3-15(24)12-22(20,26)9-5-18-17(20)4-8-21(2)16(6-10-23(18,21)27)14-11-19(25)28-13-14/h11,15-18,24,26-27H,3-10,12-13H2,1-2H3/t15-,16+,17-,18-,20+,21+,22-,23-/m0/s1 | Definition date: | 2023-03-15 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | 3-[(3~{S},5~{S},8~{S},9~{S},10~{R},13~{R},14~{S},17~{R})-10,13-dimethyl-3,5,14-tris(oxidanyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]-2~{H}-furan-5-one |
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![QH0 QH0](https://data.pdbj.org/pdbjplus/data/cc/svg/QH0.svg) | QH0 | Name: | (phenylmethyl) N-[(2S)-4-methyl-1-[[(2S)-4-nitro-1-[(3R)-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamate | Formula: | C22 H32 N4 O6 | SMILES: | CC(C)C[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](CC[N+]([O-])=O)C[CH]2CCNC2=O | InChi: | InChI=1S/C22H32N4O6/c1-15(2)12-19(25-22(29)32-14-16-6-4-3-5-7-16)21(28)24-18(9-11-26(30)31)13-17-8-10-23-20(17)27/h3-7,15,17-19H,8-14H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)/t17-,18-,19+/m1/s1 | Definition date: | 2022-10-31 | Last modified: | 2024-01-16 | Release date: | 2023-11-08 | Identifier: | (phenylmethyl) ~{N}-[(2~{S})-4-methyl-1-[[(2~{S})-4-nitro-1-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamate |
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![QH9 QH9](https://data.pdbj.org/pdbjplus/data/cc/svg/QH9.svg) | QH9 | Name: | 5-[3-(6-methoxyisoquinolin-7-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methyl-N-prop-2-ynyl-pyridine-3-carboxamide | Formula: | C27 H21 N5 O2 | SMILES: | COc1cc2ccncc2cc1c3c[nH]c4ncc(cc34)c5cncc(c5)C(=O)N(C)CC#C | InChi: | InChI=1S/C27H21N5O2/c1-4-7-32(2)27(33)21-8-18(13-29-14-21)20-10-23-24(16-31-26(23)30-15-20)22-9-19-12-28-6-5-17(19)11-25(22)34-3/h1,5-6,8-16H,7H2,2-3H3,(H,30,31) | Definition date: | 2022-10-31 | Last modified: | 2024-01-16 | Release date: | 2023-03-22 | Identifier: | 5-[3-(6-methoxyisoquinolin-7-yl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-~{N}-methyl-~{N}-prop-2-ynyl-pyridine-3-carboxamide |
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![QHR QHR](https://data.pdbj.org/pdbjplus/data/cc/svg/QHR.svg) | QHR | Name: | 7-[3-(isoquinolin-7-yloxymethyl)-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylic acid | Formula: | C37 H32 N4 O4 | SMILES: | Cn1nc(COc2ccc3ccncc3c2)c(c1C)c4cccc5c(CCCOc6cccc7ccccc67)c([nH]c45)C(O)=O | InChi: | InChI=1S/C37H32N4O4/c1-23-34(32(40-41(23)2)22-45-27-16-15-24-17-18-38-21-26(24)20-27)31-12-6-11-29-30(36(37(42)43)39-35(29)31)13-7-19-44-33-14-5-9-25-8-3-4-10-28(25)33/h3-6,8-12,14-18,20-21,39H,7,13,19,22H2,1-2H3,(H,42,43) | Definition date: | 2022-11-01 | Last modified: | 2024-01-16 | Release date: | 2023-02-22 | Identifier: | 7-[3-(isoquinolin-7-yloxymethyl)-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid |
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![QIY QIY](https://data.pdbj.org/pdbjplus/data/cc/svg/QIY.svg) | QIY | Name: | (2S,4R)-N-[(1S)-1-(4-chlorophenyl)-3-[2-[2-[2-[2-[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8$l^{5},11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxidanylidene-propyl]-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide | Formula: | C50 H63 Cl2 N9 O9 S | SMILES: | CC(C)[CH](C(=O)N1C[CH](O)C[CH]1C(=O)N[CH](CC(=O)NCCOCCOCCOCCNC(=O)C[CH]2[NH2]=C(c3ccc(Cl)cc3)c4c(C)c(C)sc4n5c(C)nnc25)c6ccc(Cl)cc6)c7onc(C)c7 | InChi: | InChI=1S/C50H63Cl2N9O9S/c1-28(2)44(41-23-29(3)59-70-41)49(66)60-27-37(62)24-40(60)48(65)56-38(33-7-11-35(51)12-8-33)25-42(63)53-15-17-67-19-21-69-22-20-68-18-16-54-43(64)26-39-47-58-57-32(6)61(47)50-45(30(4)31(5)71-50)46(55-39)34-9-13-36(52)14-10-34/h7-14,23,28,37-40,44,62H,15-22,24-27,55H2,1-6H3,(H,53,63)(H,54,64)(H,56,65)/t37-,38+,39+,40+,44-/m1/s1 | Definition date: | 2022-11-02 | Last modified: | 2024-01-16 | Release date: | 2023-02-15 | Identifier: | (2~{S},4~{R})-~{N}-[(1~{S})-1-(4-chlorophenyl)-3-[2-[2-[2-[2-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8$l^{5},11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxidanylidene-propyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
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