 | | YLI | | Name: | (3aR,4S,9bS)-4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide | | Formula: | C18 H17 Br N2 O2 S | | SMILES: | NS(=O)(=O)c1ccc2NC(C3CC=CC3c2c1)c1ccc(Br)cc1 | | InChi: | InChI=1S/C18H17BrN2O2S/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(24(20,22)23)8-9-17(16)21-18/h1-2,4-10,14-15,18,21H,3H2,(H2,20,22,23)/t14-,15+,18+/m0/s1 | | Definition date: | 2023-12-05 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | (3aR,4S,9bS)-4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide |
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 | | 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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 | | U7M | | Name: | 1-butyl-3-(4-sulfamoylphenyl)urea | | Formula: | C11 H17 N3 O3 S | | SMILES: | CCCCNC(=O)Nc1ccc(cc1)[S](N)(=O)=O | | InChi: | InChI=1S/C11H17N3O3S/c1-2-3-8-13-11(15)14-9-4-6-10(7-5-9)18(12,16)17/h4-7H,2-3,8H2,1H3,(H2,12,16,17)(H2,13,14,15) | | Synonyms: | 4-(3-butylureido)benzenesulfonamide | | Definition date: | 2023-01-27 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | 1-butyl-3-(4-sulfamoylphenyl)urea |
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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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 | | 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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 | | 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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 | | 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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 | | WOX | | Name: | (5~{S})-9-[[2,6-bis(fluoranyl)phenyl]methyl]-3-(3-methylthiophen-2-yl)-1-oxa-2,9-diazaspiro[4.5]dec-2-en-10-one | | Formula: | C19 H18 F2 N2 O2 S | | SMILES: | Cc1ccsc1C2=NO[C]3(CCCN(Cc4c(F)cccc4F)C3=O)C2 | | InChi: | InChI=1S/C19H18F2N2O2S/c1-12-6-9-26-17(12)16-10-19(25-22-16)7-3-8-23(18(19)24)11-13-14(20)4-2-5-15(13)21/h2,4-6,9H,3,7-8,10-11H2,1H3/t19-/m0/s1 | | Definition date: | 2023-10-10 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | (5~{S})-9-[[2,6-bis(fluoranyl)phenyl]methyl]-3-(3-methylthiophen-2-yl)-1-oxa-2,9-diazaspiro[4.5]dec-2-en-10-one |
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 | | WP2 | | Name: | (5~{S})-7-[[2,6-bis(fluoranyl)phenyl]methyl]-3-(3-methylthiophen-2-yl)-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one | | Formula: | C18 H16 F2 N2 O2 S | | SMILES: | Cc1ccsc1C2=NO[C]3(CCN(Cc4c(F)cccc4F)C3=O)C2 | | InChi: | InChI=1S/C18H16F2N2O2S/c1-11-5-8-25-16(11)15-9-18(24-21-15)6-7-22(17(18)23)10-12-13(19)3-2-4-14(12)20/h2-5,8H,6-7,9-10H2,1H3/t18-/m0/s1 | | Definition date: | 2023-10-10 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | (5~{S})-7-[[2,6-bis(fluoranyl)phenyl]methyl]-3-(3-methylthiophen-2-yl)-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one |
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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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 | | A1H4B | | Name: | 3-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-5-pyridin-3-yl-benzoic acid | | Formula: | C23 H22 N6 O5 S | | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CSCc4cc(cc(c4)c5cccnc5)C(O)=O)[CH](O)[CH]3O | | InChi: | InChI=1S/C23H22N6O5S/c24-20-17-21(27-10-26-20)29(11-28-17)22-19(31)18(30)16(34-22)9-35-8-12-4-14(6-15(5-12)23(32)33)13-2-1-3-25-7-13/h1-7,10-11,16,18-19,22,30-31H,8-9H2,(H,32,33)(H2,24,26,27)/t16-,18-,19-,22-/m1/s1 | | Synonyms: | 3-(((((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)thio)methyl)-5-(pyridin-3-yl)benzoic acid | | Definition date: | 2024-02-13 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | 3-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-5-pyridin-3-yl-benzoic acid |
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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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 | | YQH | | Name: | (2Z)-N-(4-acetylphenyl)-2-cyano-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enamide | | Formula: | C16 H13 N3 O4 | | SMILES: | Cc1oncc1C(/O)=C(C#N)C(=O)Nc1ccc(cc1)C(C)=O | | InChi: | InChI=1S/C16H13N3O4/c1-9(20)11-3-5-12(6-4-11)19-16(22)13(7-17)15(21)14-8-18-23-10(14)2/h3-6,8,21H,1-2H3,(H,19,22)/b15-13- | | Definition date: | 2023-02-15 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | (2Z)-N-(4-acetylphenyl)-2-cyano-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enamide |
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 | | YQL | | Name: | (6M)-6-(2-chloro-4-methylphenyl)-2-[(morpholin-4-yl)methyl]-1H-benzimidazole-4-carboxylic acid | | Formula: | C20 H20 Cl N3 O3 | | SMILES: | O=C(O)c1cc(cc2[NH]c(CN3CCOCC3)nc12)c1ccc(C)cc1Cl | | InChi: | InChI=1S/C20H20ClN3O3/c1-12-2-3-14(16(21)8-12)13-9-15(20(25)26)19-17(10-13)22-18(23-19)11-24-4-6-27-7-5-24/h2-3,8-10H,4-7,11H2,1H3,(H,22,23)(H,25,26) | | Definition date: | 2023-02-15 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | (6M)-6-(2-chloro-4-methylphenyl)-2-[(morpholin-4-yl)methyl]-1H-benzimidazole-4-carboxylic acid |
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 | | YQQ | | Name: | (2-{3-[(5-bromo-2-hydroxybenzamido)methyl]anilino}-1,3-thiazol-4-yl)acetic acid | | Formula: | C19 H16 Br N3 O4 S | | SMILES: | Brc1cc(c(O)cc1)C(=O)NCc1cc(ccc1)Nc1nc(cs1)CC(=O)O | | InChi: | InChI=1S/C19H16BrN3O4S/c20-12-4-5-16(24)15(7-12)18(27)21-9-11-2-1-3-13(6-11)22-19-23-14(10-28-19)8-17(25)26/h1-7,10,24H,8-9H2,(H,21,27)(H,22,23)(H,25,26) | | Definition date: | 2023-02-15 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | (2-{3-[(5-bromo-2-hydroxybenzamido)methyl]anilino}-1,3-thiazol-4-yl)acetic acid |
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