| YLR | Name: | (3aR,4S,9bS)-4-(naphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide | Formula: | C22 H20 N2 O2 S | SMILES: | NS(=O)(=O)c1ccc2NC(C3CC=CC3c2c1)c1cccc2ccccc21 | InChi: | InChI=1S/C22H20N2O2S/c23-27(25,26)15-11-12-21-20(13-15)17-8-4-10-19(17)22(24-21)18-9-3-6-14-5-1-2-7-16(14)18/h1-9,11-13,17,19,22,24H,10H2,(H2,23,25,26)/t17-,19+,22+/m0/s1 | Definition date: | 2023-12-05 | Last modified: | 2024-02-16 | Release date: | 2024-02-21 | Identifier: | (3aR,4S,9bS)-4-(naphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide |
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| UZX | Name: | 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]benzamide | Formula: | C14 H11 Cl2 N3 O2 | SMILES: | NC(=O)c1ccccc1NC(=O)Nc2cc(Cl)cc(Cl)c2 | InChi: | InChI=1S/C14H11Cl2N3O2/c15-8-5-9(16)7-10(6-8)18-14(21)19-12-4-2-1-3-11(12)13(17)20/h1-7H,(H2,17,20)(H2,18,19,21) | Definition date: | 2023-02-17 | Last modified: | 2024-02-16 | Release date: | 2024-02-21 | Identifier: | 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]benzamide |
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| ULC | Name: | ~{O}-(5,6,7,8-tetrahydronaphthalen-2-yl) ~{N}-(6-methoxypyridin-2-yl)-~{N}-methyl-carbamothioate | Formula: | C18 H20 N2 O2 S | SMILES: | COc1cccc(n1)N(C)C(=S)Oc2ccc3CCCCc3c2 | InChi: | InChI=1S/C18H20N2O2S/c1-20(16-8-5-9-17(19-16)21-2)18(23)22-15-11-10-13-6-3-4-7-14(13)12-15/h5,8-12H,3-4,6-7H2,1-2H3 | Definition date: | 2023-02-07 | Last modified: | 2024-02-16 | Release date: | 2024-02-21 | Identifier: | ~{O}-(5,6,7,8-tetrahydronaphthalen-2-yl) ~{N}-(6-methoxypyridin-2-yl)-~{N}-methyl-carbamothioate |
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| YM9 | Name: | (5M)-5-(2-chloro-5-fluoro-4-methylphenyl)-1H-benzimidazole-7-carboxylic acid | Formula: | C15 H10 Cl F N2 O2 | SMILES: | Fc1cc(c2cc3nc[NH]c3c(c2)C(=O)O)c(Cl)cc1C | InChi: | InChI=1S/C15H10ClFN2O2/c1-7-2-11(16)9(5-12(7)17)8-3-10(15(20)21)14-13(4-8)18-6-19-14/h2-6H,1H3,(H,18,19)(H,20,21) | Definition date: | 2023-02-09 | Last modified: | 2024-02-16 | Release date: | 2024-02-21 | Identifier: | (5M)-5-(2-chloro-5-fluoro-4-methylphenyl)-1H-benzimidazole-7-carboxylic acid |
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| XOB | Name: | 1-[[(3~{R})-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-oxidanyl-thieno[3,2-d]pyrimidine-2,4-dione | Formula: | C15 H12 N2 O5 S | SMILES: | ON1C(=O)N(C[CH]2COc3ccccc3O2)c4ccsc4C1=O | InChi: | InChI=1S/C15H12N2O5S/c18-14-13-10(5-6-23-13)16(15(19)17(14)20)7-9-8-21-11-3-1-2-4-12(11)22-9/h1-6,9,20H,7-8H2/t9-/m1/s1 | Definition date: | 2023-06-08 | Last modified: | 2024-02-16 | Release date: | 2024-02-21 | Identifier: | 1-[[(3~{R})-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-oxidanyl-thieno[3,2-d]pyrimidine-2,4-dione |
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| YME | Name: | (2P)-8-chloro-2-(2-hydroxyphenyl)quinoline-4-carboxylic acid | Formula: | C16 H10 Cl N O3 | SMILES: | O=C(O)c1cc(nc2c(Cl)cccc12)c1ccccc1O | InChi: | InChI=1S/C16H10ClNO3/c17-12-6-3-5-9-11(16(20)21)8-13(18-15(9)12)10-4-1-2-7-14(10)19/h1-8,19H,(H,20,21) | Definition date: | 2023-02-09 | Last modified: | 2024-02-16 | Release date: | 2024-02-21 | Identifier: | (2P)-8-chloro-2-(2-hydroxyphenyl)quinoline-4-carboxylic acid |
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| ULR | Name: | 4-[(3~{S})-3-ethylpiperazin-1-yl]-2-fluoranyl-~{N}-(2-methylimidazo[1,2-a]pyrazin-6-yl)benzamide | Formula: | C20 H23 F N6 O | SMILES: | CC[CH]1CN(CCN1)c2ccc(c(F)c2)C(=O)Nc3cn4cc(C)nc4cn3 | InChi: | InChI=1S/C20H23FN6O/c1-3-14-11-26(7-6-22-14)15-4-5-16(17(21)8-15)20(28)25-18-12-27-10-13(2)24-19(27)9-23-18/h4-5,8-10,12,14,22H,3,6-7,11H2,1-2H3,(H,25,28)/t14-/m0/s1 | Synonyms: | SMN-CY | Definition date: | 2023-02-07 | Last modified: | 2024-02-16 | Release date: | 2024-02-21 | Identifier: | 4-[(3~{S})-3-ethylpiperazin-1-yl]-2-fluoranyl-~{N}-(2-methylimidazo[1,2-a]pyrazin-6-yl)benzamide |
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| V0F | Name: | (4~{S})-4-methyl-16,18-bis(oxidanyl)-3-azabicyclo[12.4.0]octadeca-1(18),12,14,16-tetraene-2,8-dione | Formula: | C18 H23 N O4 | SMILES: | C[CH]1CCCC(=O)CCCC=Cc2cc(O)cc(O)c2C(=O)N1 | InChi: | InChI=1S/C18H23NO4/c1-12-6-5-9-14(20)8-4-2-3-7-13-10-15(21)11-16(22)17(13)18(23)19-12/h3,7,10-12,21-22H,2,4-6,8-9H2,1H3,(H,19,23)/b7-3+/t12-/m0/s1 | Definition date: | 2023-02-20 | Last modified: | 2024-02-16 | Release date: | 2024-02-21 | Identifier: | (4~{S})-4-methyl-16,18-bis(oxidanyl)-3-azabicyclo[12.4.0]octadeca-1(18),12,14,16-tetraene-2,8-dione |
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| YMI | Name: | 3-(4-fluorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid | Formula: | C11 H9 F N2 O2 | SMILES: | Cn1nc(cc1C(=O)O)c1ccc(F)cc1 | InChi: | InChI=1S/C11H9FN2O2/c1-14-10(11(15)16)6-9(13-14)7-2-4-8(12)5-3-7/h2-6H,1H3,(H,15,16) | Definition date: | 2023-02-09 | Last modified: | 2024-02-16 | Release date: | 2024-02-21 | Identifier: | 3-(4-fluorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid |
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| YMO | Name: | (8S)-2-{[(3-fluoro[1,1'-biphenyl]-4-yl)methyl]amino}-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one | Formula: | C21 H20 F N5 O | SMILES: | Fc1cc(ccc1CNc1nc2NC(=CC(=O)n2n1)CCC)c1ccccc1 | InChi: | InChI=1S/C21H20FN5O/c1-2-6-17-12-19(28)27-21(24-17)25-20(26-27)23-13-16-10-9-15(11-18(16)22)14-7-4-3-5-8-14/h3-5,7-12H,2,6,13H2,1H3,(H2,23,24,25,26) | Definition date: | 2023-02-09 | Last modified: | 2024-02-16 | Release date: | 2024-02-21 | Identifier: | (8S)-2-{[(3-fluoro[1,1'-biphenyl]-4-yl)methyl]amino}-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
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| Y5C | Name: | 4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoic acid | Formula: | C17 H17 F N4 O3 | SMILES: | O=C(O)c1ccc(cc1F)CCCCn1ccc2N=C(N)NC(=O)c21 | InChi: | InChI=1S/C17H17FN4O3/c18-12-9-10(4-5-11(12)16(24)25)3-1-2-7-22-8-6-13-14(22)15(23)21-17(19)20-13/h4-6,8-9H,1-3,7H2,(H,24,25)(H3,19,20,21,23) | Definition date: | 2023-06-12 | Last modified: | 2024-02-16 | Release date: | 2024-02-21 | Identifier: | 4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoic acid |
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| YMT | Name: | (6M)-2-benzyl-6-(2-chloro-4-methylphenyl)-2H-indazole-4-carboxylic acid | Formula: | C22 H17 Cl N2 O2 | SMILES: | O=C(O)c1cc(cc2nn(cc12)Cc1ccccc1)c1ccc(C)cc1Cl | InChi: | InChI=1S/C22H17ClN2O2/c1-14-7-8-17(20(23)9-14)16-10-18(22(26)27)19-13-25(24-21(19)11-16)12-15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H,26,27) | Definition date: | 2023-02-09 | Last modified: | 2024-02-16 | Release date: | 2024-02-21 | Identifier: | (6M)-2-benzyl-6-(2-chloro-4-methylphenyl)-2H-indazole-4-carboxylic acid |
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| Y5Z | Name: | N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-L-gamma-glutamyl-L-glutamic acid | Formula: | C27 H31 F N6 O9 | SMILES: | O=C(O)C(CCC(=O)O)NC(=O)CCC(NC(=O)c1ccc(cc1F)CCCCn1ccc2N=C(N)NC(=O)c21)C(=O)O | InChi: | InChI=1S/C27H31FN6O9/c28-16-13-14(3-1-2-11-34-12-10-17-22(34)24(39)33-27(29)32-17)4-5-15(16)23(38)31-19(26(42)43)6-8-20(35)30-18(25(40)41)7-9-21(36)37/h4-5,10,12-13,18-19H,1-3,6-9,11H2,(H,30,35)(H,31,38)(H,36,37)(H,40,41)(H,42,43)(H3,29,32,33,39)/t18-,19-/m0/s1 | Definition date: | 2023-06-12 | Last modified: | 2024-02-16 | Release date: | 2024-02-21 | Identifier: | N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-L-gamma-glutamyl-L-glutamic acid |
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| WC9 | Name: | (4S,5aS,8S,8aR)-4-(2-methylpropyl)-N-[(1R,5Z,7R,8R,9R,10R,11S,12R)-10,11,12-trihydroxy-7-methyl-13-oxa-2-thiabicyclo[7.3.1]tridec-5-en-8-yl]octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide (non-preferred name) | Formula: | C25 H42 N2 O6 S | SMILES: | CC(C)CC1CC2CNC(C2OCC1)C(=O)NC1C2OC(SCCC=CC1C)C(O)C(O)C2O | InChi: | InChI=1S/C25H42N2O6S/c1-13(2)10-15-7-8-32-22-16(11-15)12-26-18(22)24(31)27-17-14(3)6-4-5-9-34-25-21(30)19(28)20(29)23(17)33-25/h4,6,13-23,25-26,28-30H,5,7-12H2,1-3H3,(H,27,31)/b6-4-/t14-,15+,16+,17-,18+,19+,20-,21-,22-,23-,25-/m1/s1 | Definition date: | 2023-09-29 | Last modified: | 2024-02-16 | Release date: | 2024-02-21 | Identifier: | (4S,5aS,8S,8aR)-4-(2-methylpropyl)-N-[(1R,5Z,7R,8R,9R,10R,11S,12R)-10,11,12-trihydroxy-7-methyl-13-oxa-2-thiabicyclo[7.3.1]tridec-5-en-8-yl]octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide (non-preferred name) |
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| YNW | Name: | (6M)-2-(benzylamino)-6-(2-chloro-4-methylphenyl)-1H-benzimidazole-4-carboxylic acid | Formula: | C22 H18 Cl N3 O2 | SMILES: | O=C(O)c1cc(cc2[NH]c(nc12)NCc1ccccc1)c1ccc(C)cc1Cl | InChi: | InChI=1S/C22H18ClN3O2/c1-13-7-8-16(18(23)9-13)15-10-17(21(27)28)20-19(11-15)25-22(26-20)24-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,27,28)(H2,24,25,26) | Definition date: | 2023-02-13 | Last modified: | 2024-02-16 | Release date: | 2024-02-21 | Identifier: | (6M)-2-(benzylamino)-6-(2-chloro-4-methylphenyl)-1H-benzimidazole-4-carboxylic acid |
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| YO6 | Name: | [2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic acid | Formula: | C11 H9 F N2 O2 S | SMILES: | O=C(O)Cc1csc(Nc2ccc(F)cc2)n1 | InChi: | InChI=1S/C11H9FN2O2S/c12-7-1-3-8(4-2-7)13-11-14-9(6-17-11)5-10(15)16/h1-4,6H,5H2,(H,13,14)(H,15,16) | Definition date: | 2023-02-13 | Last modified: | 2024-02-16 | Release date: | 2024-02-21 | Identifier: | [2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic acid |
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| YOB | Name: | (8S)-2-({[2-chloro-5-(pyridin-4-yl)phenyl]methyl}amino)-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one | Formula: | C20 H19 Cl N6 O | SMILES: | Clc1ccc(cc1CNc1nc2NC(=CC(=O)n2n1)CCC)c1ccncc1 | InChi: | InChI=1S/C20H19ClN6O/c1-2-3-16-11-18(28)27-20(24-16)25-19(26-27)23-12-15-10-14(4-5-17(15)21)13-6-8-22-9-7-13/h4-11H,2-3,12H2,1H3,(H2,23,24,25,26) | Definition date: | 2023-02-13 | Last modified: | 2024-02-16 | Release date: | 2024-02-21 | Identifier: | (8S)-2-({[2-chloro-5-(pyridin-4-yl)phenyl]methyl}amino)-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
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| YP3 | Name: | 5-bromo-2-hydroxy-N-[(quinolin-6-yl)methyl]benzamide | Formula: | C17 H13 Br N2 O2 | SMILES: | Brc1cc(c(O)cc1)C(=O)NCc1ccc2ncccc2c1 | InChi: | InChI=1S/C17H13BrN2O2/c18-13-4-6-16(21)14(9-13)17(22)20-10-11-3-5-15-12(8-11)2-1-7-19-15/h1-9,21H,10H2,(H,20,22) | Definition date: | 2023-02-15 | Last modified: | 2024-02-16 | Release date: | 2024-02-21 | Identifier: | 5-bromo-2-hydroxy-N-[(quinolin-6-yl)methyl]benzamide |
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| YP8 | Name: | (8S)-5-benzyl-2-({[(5P)-2-chloro-5-(1-methyl-1H-pyrazol-3-yl)phenyl]methyl}amino)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one | Formula: | C23 H20 Cl N7 O | SMILES: | Cn1ccc(n1)c1cc(CNc2nc3NC(=CC(=O)n3n2)Cc2ccccc2)c(Cl)cc1 | InChi: | InChI=1S/C23H20ClN7O/c1-30-10-9-20(28-30)16-7-8-19(24)17(12-16)14-25-22-27-23-26-18(13-21(32)31(23)29-22)11-15-5-3-2-4-6-15/h2-10,12-13H,11,14H2,1H3,(H2,25,26,27,29) | Definition date: | 2023-02-15 | Last modified: | 2024-02-16 | Release date: | 2024-02-21 | Identifier: | (8S)-5-benzyl-2-({[(5P)-2-chloro-5-(1-methyl-1H-pyrazol-3-yl)phenyl]methyl}amino)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
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| YPD | Name: | (2Z)-N-[4-(4-chlorobenzene-1-sulfonyl)phenyl]-2-cyano-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enamide | Formula: | C20 H14 Cl N3 O5 S | SMILES: | Cc1oncc1C(/O)=C(C#N)C(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1 | InChi: | InChI=1S/C20H14ClN3O5S/c1-12-18(11-23-29-12)19(25)17(10-22)20(26)24-14-4-8-16(9-5-14)30(27,28)15-6-2-13(21)3-7-15/h2-9,11,25H,1H3,(H,24,26)/b19-17- | Definition date: | 2023-02-15 | Last modified: | 2024-02-16 | Release date: | 2024-02-21 | Identifier: | (2Z)-N-[4-(4-chlorobenzene-1-sulfonyl)phenyl]-2-cyano-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enamide |
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| YPL | Name: | 5-bromo-2-hydroxy-N-{[(3M)-3-(1-methyl-1H-pyrazol-4-yl)phenyl]methyl}benzamide | Formula: | C18 H16 Br N3 O2 | SMILES: | Cn1cc(cn1)c1cc(CNC(=O)c2cc(Br)ccc2O)ccc1 | InChi: | InChI=1S/C18H16BrN3O2/c1-22-11-14(10-21-22)13-4-2-3-12(7-13)9-20-18(24)16-8-15(19)5-6-17(16)23/h2-8,10-11,23H,9H2,1H3,(H,20,24) | Definition date: | 2023-02-15 | Last modified: | 2024-02-16 | Release date: | 2024-02-21 | Identifier: | 5-bromo-2-hydroxy-N-{[(3M)-3-(1-methyl-1H-pyrazol-4-yl)phenyl]methyl}benzamide |
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| YPU | Name: | 5-bromo-N-{[(5P)-2-fluoro-5-(1-methyl-1H-pyrazol-4-yl)phenyl]methyl}-2-hydroxybenzamide | Formula: | C18 H15 Br F N3 O2 | SMILES: | Cn1cc(cn1)c1cc(CNC(=O)c2cc(Br)ccc2O)c(F)cc1 | InChi: | InChI=1S/C18H15BrFN3O2/c1-23-10-13(9-22-23)11-2-4-16(20)12(6-11)8-21-18(25)15-7-14(19)3-5-17(15)24/h2-7,9-10,24H,8H2,1H3,(H,21,25) | Definition date: | 2023-02-15 | Last modified: | 2024-02-16 | Release date: | 2024-02-21 | Identifier: | 5-bromo-N-{[(5P)-2-fluoro-5-(1-methyl-1H-pyrazol-4-yl)phenyl]methyl}-2-hydroxybenzamide |
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| YQ3 | Name: | (5M)-5-(2-chloro-4-methylphenyl)-1-[(pyridin-4-yl)methyl]-1H-benzimidazole-7-carboxylic acid | Formula: | C21 H16 Cl N3 O2 | SMILES: | Cc1ccc(c2cc3ncn(Cc4ccncc4)c3c(c2)C(=O)O)c(Cl)c1 | InChi: | InChI=1S/C21H16ClN3O2/c1-13-2-3-16(18(22)8-13)15-9-17(21(26)27)20-19(10-15)24-12-25(20)11-14-4-6-23-7-5-14/h2-10,12H,11H2,1H3,(H,26,27) | Definition date: | 2023-02-15 | Last modified: | 2024-02-16 | Release date: | 2024-02-21 | Identifier: | (5M)-5-(2-chloro-4-methylphenyl)-1-[(pyridin-4-yl)methyl]-1H-benzimidazole-7-carboxylic acid |
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| YQ8 | Name: | 4-(4-chlorophenyl)-7,8-dimethoxy-5-methyl-4H-pyrido[2,3,4-de]quinazoline | Formula: | C19 H16 Cl N3 O2 | SMILES: | Clc1ccc(cc1)N1C(C)=Cc2c(OC)c(cc3ncnc1c32)OC | InChi: | InChI=1S/C19H16ClN3O2/c1-11-8-14-17-15(9-16(24-2)18(14)25-3)21-10-22-19(17)23(11)13-6-4-12(20)5-7-13/h4-10H,1-3H3 | Definition date: | 2023-02-15 | Last modified: | 2024-02-16 | Release date: | 2024-02-21 | Identifier: | 4-(4-chlorophenyl)-7,8-dimethoxy-5-methyl-4H-pyrido[2,3,4-de]quinazoline |
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| YQC | Name: | (8S)-2-({[(5P)-2-chloro-5-(1-methyl-1H-pyrazol-3-yl)phenyl]methyl}amino)-5-(2-phenylethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one | Formula: | C24 H22 Cl N7 O | SMILES: | Cn1ccc(n1)c1cc(CNc2nc3NC(=CC(=O)n3n2)CCc2ccccc2)c(Cl)cc1 | InChi: | InChI=1S/C24H22ClN7O/c1-31-12-11-21(29-31)17-8-10-20(25)18(13-17)15-26-23-28-24-27-19(14-22(33)32(24)30-23)9-7-16-5-3-2-4-6-16/h2-6,8,10-14H,7,9,15H2,1H3,(H2,26,27,28,30) | Definition date: | 2023-02-15 | Last modified: | 2024-02-16 | Release date: | 2024-02-21 | Identifier: | (8S)-2-({[(5P)-2-chloro-5-(1-methyl-1H-pyrazol-3-yl)phenyl]methyl}amino)-5-(2-phenylethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
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