 | | T63 | | Name: | 2-phenylpyrimidin-5-ol | | Formula: | C10 H8 N2 O | | SMILES: | Oc1cnc(nc1)c1ccccc1 | | InChi: | InChI=1S/C10H8N2O/c13-9-6-11-10(12-7-9)8-4-2-1-3-5-8/h1-7,13H | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 2-phenylpyrimidin-5-ol |
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 | | T6R | | Name: | 1-ethyl-1H-benzimidazole | | Formula: | C9 H10 N2 | | SMILES: | CCn1cnc2ccccc21 | | InChi: | InChI=1S/C9H10N2/c1-2-11-7-10-8-5-3-4-6-9(8)11/h3-7H,2H2,1H3 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 1-ethyl-1H-benzimidazole |
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 | | T7B | | Name: | (1'S)-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione | | Formula: | C11 H10 N2 O2 | | SMILES: | O=C1NC(=O)NC21CCc1ccccc12 | | InChi: | InChI=1S/C11H10N2O2/c14-9-11(13-10(15)12-9)6-5-7-3-1-2-4-8(7)11/h1-4H,5-6H2,(H2,12,13,14,15)/t11-/m0/s1 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (1'S)-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione |
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 | | T7L | | Name: | 2-phenyl-1,3-thiazole-5-carboxylic acid | | Formula: | C10 H7 N O2 S | | SMILES: | O=C(O)c1cnc(s1)c1ccccc1 | | InChi: | InChI=1S/C10H7NO2S/c12-10(13)8-6-11-9(14-8)7-4-2-1-3-5-7/h1-6H,(H,12,13) | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 2-phenyl-1,3-thiazole-5-carboxylic acid |
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 | | T7U | | Name: | N-cyclopropyl-2-hydroxybenzamide | | Formula: | C10 H11 N O2 | | SMILES: | O=C(NC1CC1)c1ccccc1O | | InChi: | InChI=1S/C10H11NO2/c12-9-4-2-1-3-8(9)10(13)11-7-5-6-7/h1-4,7,12H,5-6H2,(H,11,13) | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | N-cyclopropyl-2-hydroxybenzamide |
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 | | T89 | | Name: | [4-(hydroxymethyl)piperidin-1-yl](phenyl)methanone | | Formula: | C13 H17 N O2 | | SMILES: | O=C(c1ccccc1)N1CCC(CO)CC1 | | InChi: | InChI=1S/C13H17NO2/c15-10-11-6-8-14(9-7-11)13(16)12-4-2-1-3-5-12/h1-5,11,15H,6-10H2 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | [4-(hydroxymethyl)piperidin-1-yl](phenyl)methanone |
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 | | T8O | | Name: | 4-[(difluoromethyl)sulfanyl]aniline | | Formula: | C7 H7 F2 N S | | SMILES: | FC(F)Sc1ccc(N)cc1 | | InChi: | InChI=1S/C7H7F2NS/c8-7(9)11-6-3-1-5(10)2-4-6/h1-4,7H,10H2 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 4-[(difluoromethyl)sulfanyl]aniline |
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 | | T9F | | Name: | 4-(4-methoxyphenyl)-1,2,3,6-tetrahydropyridine | | Formula: | C12 H15 N O | | SMILES: | COc1ccc(cc1)C1=CCNCC1 | | InChi: | InChI=1S/C12H15NO/c1-14-12-4-2-10(3-5-12)11-6-8-13-9-7-11/h2-6,13H,7-9H2,1H3 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 4-(4-methoxyphenyl)-1,2,3,6-tetrahydropyridine |
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 | | T9X | | Name: | 5-(propan-2-yl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole | | Formula: | C9 H15 N3 O | | SMILES: | CC(C)c1nc(no1)C1NCCC1 | | InChi: | InChI=1S/C9H15N3O/c1-6(2)9-11-8(12-13-9)7-4-3-5-10-7/h6-7,10H,3-5H2,1-2H3/t7-/m0/s1 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 5-(propan-2-yl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole |
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 | | TE0 | | Name: | 1-(ethanesulfonyl)piperidine-4-carboxylic acid | | Formula: | C8 H15 N O4 S | | SMILES: | O=S(=O)(CC)N1CCC(CC1)C(=O)O | | InChi: | InChI=1S/C8H15NO4S/c1-2-14(12,13)9-5-3-7(4-6-9)8(10)11/h7H,2-6H2,1H3,(H,10,11) | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 1-(ethanesulfonyl)piperidine-4-carboxylic acid |
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 | | TI6 | | Name: | [(2S,3S)-1-(methanesulfonyl)-3-methylpiperidin-2-yl]methanol | | Formula: | C8 H17 N O3 S | | SMILES: | CC1CCCN(C1CO)S(=O)(C)=O | | InChi: | InChI=1S/C8H17NO3S/c1-7-4-3-5-9(8(7)6-10)13(2,11)12/h7-8,10H,3-6H2,1-2H3/t7-,8+/m0/s1 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | [(2S,3S)-1-(methanesulfonyl)-3-methylpiperidin-2-yl]methanol |
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 | | TJ0 | | Name: | 4-[2-(trifluoromethyl)benzoyl]piperazin-2-one | | Formula: | C12 H11 F3 N2 O2 | | SMILES: | O=C1CN(CCN1)C(=O)c1ccccc1C(F)(F)F | | InChi: | InChI=1S/C12H11F3N2O2/c13-12(14,15)9-4-2-1-3-8(9)11(19)17-6-5-16-10(18)7-17/h1-4H,5-7H2,(H,16,18) | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 4-[2-(trifluoromethyl)benzoyl]piperazin-2-one |
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 | | TJA | | Name: | (4S)-3-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine | | Formula: | C6 H10 N4 | | SMILES: | Cc1nnc2CNCCn12 | | InChi: | InChI=1S/C6H10N4/c1-5-8-9-6-4-7-2-3-10(5)6/h7H,2-4H2,1H3 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (4S)-3-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine |
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 | | TJL | | Name: | 4-(1,2,4-oxadiazol-5-yl)aniline | | Formula: | C8 H7 N3 O | | SMILES: | Nc1ccc(cc1)c1ncno1 | | InChi: | InChI=1S/C8H7N3O/c9-7-3-1-6(2-4-7)8-10-5-11-12-8/h1-5H,9H2 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 4-(1,2,4-oxadiazol-5-yl)aniline |
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 | | TJX | | Name: | 1-[(4S)-imidazo[1,2-a]pyridin-7-yl]methanamine | | Formula: | C8 H9 N3 | | SMILES: | NCc1cc2nccn2cc1 | | InChi: | InChI=1S/C8H9N3/c9-6-7-1-3-11-4-2-10-8(11)5-7/h1-5H,6,9H2 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 1-[(4S)-imidazo[1,2-a]pyridin-7-yl]methanamine |
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 | | TKI | | Name: | 2-[(4,6-diethyl-1,3,5-triazin-2-yl)-methyl-amino]ethanoic acid | | Formula: | C10 H16 N4 O2 | | SMILES: | CCc1nc(CC)nc(n1)N(C)CC(O)=O | | InChi: | InChI=1S/C10H16N4O2/c1-4-7-11-8(5-2)13-10(12-7)14(3)6-9(15)16/h4-6H2,1-3H3,(H,15,16) | | Synonyms: | 2-(N-methyl-N-(4,6-divinyl-1,3,5-triazin-2-yl)amino)acetic acid (precursor) | | Definition date: | 2023-01-06 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 2-[(4,6-diethyl-1,3,5-triazin-2-yl)-methyl-amino]ethanoic acid |
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 | | TKM | | Name: | 1-(oxan-4-yl)-1H-pyrazole-5-carboxylic acid | | Formula: | C9 H12 N2 O3 | | SMILES: | O=C(O)c1ccnn1C1CCOCC1 | | InChi: | InChI=1S/C9H12N2O3/c12-9(13)8-1-4-10-11(8)7-2-5-14-6-3-7/h1,4,7H,2-3,5-6H2,(H,12,13) | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 1-(oxan-4-yl)-1H-pyrazole-5-carboxylic acid |
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 | | TM0 | | Name: | (1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethan-1-amine | | Formula: | C11 H13 N3 O | | SMILES: | CC(N)c1nc(Cc2ccccc2)no1 | | InChi: | InChI=1S/C11H13N3O/c1-8(12)11-13-10(14-15-11)7-9-5-3-2-4-6-9/h2-6,8H,7,12H2,1H3/t8-/m1/s1 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethan-1-amine |
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 | | TNU | | Name: | (2R,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine | | Formula: | C9 H15 N3 O S | | SMILES: | Cc1nc(sn1)N1CCOC(C)C1C | | InChi: | InChI=1S/C9H15N3OS/c1-6-7(2)13-5-4-12(6)9-10-8(3)11-14-9/h6-7H,4-5H2,1-3H3/t6-,7-/m1/s1 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (2R,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine |
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 | | TQC | | Name: | (3M)-5-cyclobutyl-3-(1-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole | | Formula: | C10 H12 N4 O | | SMILES: | Cn1ccnc1c1nc(on1)C1CCC1 | | InChi: | InChI=1S/C10H12N4O/c1-14-6-5-11-9(14)8-12-10(15-13-8)7-3-2-4-7/h5-7H,2-4H2,1H3 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (3M)-5-cyclobutyl-3-(1-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole |
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 | | E7J | | Name: | 4-(4-oxidanylbutoxycarbonyl)benzoic acid | | Formula: | C12 H14 O5 | | SMILES: | OCCCCOC(=O)c1ccc(cc1)C(O)=O | | InChi: | InChI=1S/C12H14O5/c13-7-1-2-8-17-12(16)10-5-3-9(4-6-10)11(14)15/h3-6,13H,1-2,7-8H2,(H,14,15) | | Definition date: | 2023-06-14 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 4-(4-oxidanylbutoxycarbonyl)benzoic acid |
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 | | EMX | | Name: | 4-[4-(4-carboxyphenyl)carbonyloxybutoxycarbonyl]benzoic acid | | Formula: | C20 H18 O8 | | SMILES: | OC(=O)c1ccc(cc1)C(=O)OCCCCOC(=O)c2ccc(cc2)C(O)=O | | InChi: | InChI=1S/C20H18O8/c21-17(22)13-3-7-15(8-4-13)19(25)27-11-1-2-12-28-20(26)16-9-5-14(6-10-16)18(23)24/h3-10H,1-2,11-12H2,(H,21,22)(H,23,24) | | Synonyms: | 4,4'-((Butane-1,4-diylbis(oxy))bis(carbonyl))dibenzoic acid | | Definition date: | 2023-06-15 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 4-[4-(4-carboxyphenyl)carbonyloxybutoxycarbonyl]benzoic acid |
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 | | FI6 | | Name: | N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyloxy)phenyl]ethanamide | | Formula: | C32 H28 F3 N5 O4 | | SMILES: | CCOc1ccc(cc1)N2C(=O)c3cccnc3N=C2[CH](C)N(Cc4cccnc4)C(=O)Cc5ccc(OC(F)(F)F)cc5 | | InChi: | InChI=1S/C32H28F3N5O4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35/h4-17,19,21H,3,18,20H2,1-2H3/t21-/m1/s1 | | Synonyms: | (+/-)-AMG 487 | | Definition date: | 2023-07-20 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | ~{N}-[(1~{R})-1-[3-(4-ethoxyphenyl)-4-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl]ethyl]-~{N}-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyloxy)phenyl]ethanamide |
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 | | 4IE | | Name: | [4-(2-bromophenyl)phenyl]methyl-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-dimethyl-azanium | | Formula: | C25 H31 Br N | | SMILES: | CC1(C)[CH]2CC=C(C[N+](C)(C)Cc3ccc(cc3)c4ccccc4Br)[CH]1C2 | | InChi: | InChI=1S/C25H31BrN/c1-25(2)21-14-13-20(23(25)15-21)17-27(3,4)16-18-9-11-19(12-10-18)22-7-5-6-8-24(22)26/h5-13,21,23H,14-17H2,1-4H3/q+1/t21-,23-/m0/s1 | | Synonyms: | VUF11222 | | Definition date: | 2023-01-05 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | [4-(2-bromophenyl)phenyl]methyl-[[(1~{R},5~{S})-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-dimethyl-azanium |
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 | | UIW | | Name: | 5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide | | Formula: | C21 H18 Br F N4 O2 | | SMILES: | Fc1cc(cc(Br)c1)C(=O)Nc1cc(cnc1Nc1ccccc1C)C(=O)NC | | InChi: | InChI=1S/C21H18BrFN4O2/c1-12-5-3-4-6-17(12)26-19-18(9-14(11-25-19)20(28)24-2)27-21(29)13-7-15(22)10-16(23)8-13/h3-11H,1-2H3,(H,24,28)(H,25,26)(H,27,29) | | Definition date: | 2023-09-05 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 | | Identifier: | 5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide |
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