 | | VDT | | Name: | 5-(2-cyclopropylethynyl)-6-(2-methoxyphenyl)pyrimidine-2,4-diamine | | Formula: | C16 H16 N4 O | | SMILES: | COc1ccccc1c2nc(N)nc(N)c2C#CC3CC3 | | InChi: | InChI=1S/C16H16N4O/c1-21-13-5-3-2-4-11(13)14-12(9-8-10-6-7-10)15(17)20-16(18)19-14/h2-5,10H,6-7H2,1H3,(H4,17,18,19,20) | | Definition date: | 2023-03-01 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | 5-(2-cyclopropylethynyl)-6-(2-methoxyphenyl)pyrimidine-2,4-diamine |
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 | | X83 | | Name: | methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6R)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | | Formula: | C24 H41 F N4 O6 | | SMILES: | CNC(=O)C(O)C(CCC(C)F)NC(=O)C1C2CCCC2CN1C(=O)C(NC(=O)OC)C(C)(C)C | | InChi: | InChI=1S/C24H41FN4O6/c1-13(25)10-11-16(18(30)21(32)26-5)27-20(31)17-15-9-7-8-14(15)12-29(17)22(33)19(24(2,3)4)28-23(34)35-6/h13-19,30H,7-12H2,1-6H3,(H,26,32)(H,27,31)(H,28,34)/t13-,14+,15+,16+,17+,18-,19-/m1/s1 | | Definition date: | 2023-10-24 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6R)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate (non-preferred name) |
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 | | WSI | | Name: | 2-[[3-[(4-chlorophenyl)carbamoyl]phenyl]sulfonylamino]benzoic acid | | Formula: | C20 H15 Cl N2 O5 S | | SMILES: | OC(=O)c1ccccc1N[S](=O)(=O)c2cccc(c2)C(=O)Nc3ccc(Cl)cc3 | | InChi: | InChI=1S/C20H15ClN2O5S/c21-14-8-10-15(11-9-14)22-19(24)13-4-3-5-16(12-13)29(27,28)23-18-7-2-1-6-17(18)20(25)26/h1-12,23H,(H,22,24)(H,25,26) | | Definition date: | 2023-05-17 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | 2-[[3-[(4-chlorophenyl)carbamoyl]phenyl]sulfonylamino]benzoic acid |
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 | | Y53 | | Name: | 5-(1~{H}-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol | | Formula: | C22 H27 N5 O2 | | SMILES: | CC1(C)CC(CC(C)(C)N1)Oc2ccc(nn2)c3ccc(cc3O)c4c[nH]nc4 | | InChi: | InChI=1S/C22H27N5O2/c1-21(2)10-16(11-22(3,4)27-21)29-20-8-7-18(25-26-20)17-6-5-14(9-19(17)28)15-12-23-24-13-15/h5-9,12-13,16,27-28H,10-11H2,1-4H3,(H,23,24) | | Definition date: | 2023-11-21 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | 5-(1~{H}-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol |
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 | | VTX | | Name: | Vortioxetine | | Formula: | C18 H22 N2 S | | SMILES: | Cc1ccc(Sc2ccccc2N3CCNCC3)c(C)c1 | | InChi: | InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3 | | Synonyms: | 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine | | Definition date: | 2022-07-27 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine |
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 | | X8F | | Name: | methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6S)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | | Formula: | C24 H41 F N4 O6 | | SMILES: | CNC(=O)C(O)C(CCC(C)F)NC(=O)C1C2CCCC2CN1C(=O)C(NC(=O)OC)C(C)(C)C | | InChi: | InChI=1S/C24H41FN4O6/c1-13(25)10-11-16(18(30)21(32)26-5)27-20(31)17-15-9-7-8-14(15)12-29(17)22(33)19(24(2,3)4)28-23(34)35-6/h13-19,30H,7-12H2,1-6H3,(H,26,32)(H,27,31)(H,28,34)/t13-,14-,15-,16-,17-,18+,19+/m0/s1 | | Definition date: | 2023-10-24 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6S)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate (non-preferred name) |
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 | | Y59 | | Name: | 7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-1~{H}-pyrido[1,2-a]pyrimidin-4-one | | Formula: | C22 H24 N7 O | | SMILES: | Cc1cn2nc(cc(C)c2n1)C3=CC(=O)[n]4cc(ccc4N3)N5CCNC6(CC6)C5 | | InChi: | InChI=1S/C22H24N7O/c1-14-9-18(26-29-11-15(2)24-21(14)29)17-10-20(30)28-12-16(3-4-19(28)25-17)27-8-7-23-22(13-27)5-6-22/h3-4,9-12,23H,5-8,13H2,1-2H3,(H,25,30) | | Definition date: | 2023-11-21 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | 7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-1~{H}-pyrido[1,2-a]pyrimidin-4-one |
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 | | ZR0 | | Name: | 4-bromobenzene-1,3-dicarboxylic acid | | Formula: | C8 H5 Br O4 | | SMILES: | OC(=O)c1cc(ccc1Br)C(=O)O | | InChi: | InChI=1S/C8H5BrO4/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13) | | Definition date: | 2023-07-03 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | 4-bromobenzene-1,3-dicarboxylic acid |
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 | | ZR3 | | Name: | 2-chloro-5-(2-oxoimidazolidin-1-yl)benzoic acid | | Formula: | C10 H9 Cl N2 O3 | | SMILES: | O=C(O)c1cc(ccc1Cl)N1CCNC1=O | | InChi: | InChI=1S/C10H9ClN2O3/c11-8-2-1-6(5-7(8)9(14)15)13-4-3-12-10(13)16/h1-2,5H,3-4H2,(H,12,16)(H,14,15) | | Definition date: | 2023-07-03 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | 2-chloro-5-(2-oxoimidazolidin-1-yl)benzoic acid |
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 | | ZR6 | | Name: | 2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid | | Formula: | C11 H12 N2 O3 | | SMILES: | O=C(O)c1cccc(c1C)N1CCNC1=O | | InChi: | InChI=1S/C11H12N2O3/c1-7-8(10(14)15)3-2-4-9(7)13-6-5-12-11(13)16/h2-4H,5-6H2,1H3,(H,12,16)(H,14,15) | | Definition date: | 2023-07-03 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | 2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid |
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 | | ZR9 | | Name: | 2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-carboxylic acid | | Formula: | C9 H6 N2 O4 | | SMILES: | O=C(O)c1ccc2NC(=O)NC(=O)c2c1 | | InChi: | InChI=1S/C9H6N2O4/c12-7-5-3-4(8(13)14)1-2-6(5)10-9(15)11-7/h1-3H,(H,13,14)(H2,10,11,12,15) | | Definition date: | 2023-07-03 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | 2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-carboxylic acid |
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 | | ZRE | | Name: | 7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carboxylic acid | | Formula: | C10 H8 F N O3 | | SMILES: | O=C(O)c1cc2CCC(=O)Nc2cc1F | | InChi: | InChI=1S/C10H8FNO3/c11-7-4-8-5(1-2-9(13)12-8)3-6(7)10(14)15/h3-4H,1-2H2,(H,12,13)(H,14,15) | | Definition date: | 2023-07-03 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | 7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carboxylic acid |
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 | | ZRI | | Name: | (1S,2S)-2-(pyridin-2-yl)cyclopropane-1-carboxylic acid | | Formula: | C9 H9 N O2 | | SMILES: | O=C(O)C1CC1c1ccccn1 | | InChi: | InChI=1S/C9H9NO2/c11-9(12)7-5-6(7)8-3-1-2-4-10-8/h1-4,6-7H,5H2,(H,11,12)/t6-,7-/m0/s1 | | Definition date: | 2023-07-03 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | (1S,2S)-2-(pyridin-2-yl)cyclopropane-1-carboxylic acid |
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 | | ZRZ | | Name: | 3-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)benzoic acid | | Formula: | C16 H19 N O4 | | SMILES: | O=C(O)c1cccc(c1)C(=O)N1CC2(CCCC2)OCC1 | | InChi: | InChI=1S/C16H19NO4/c18-14(12-4-3-5-13(10-12)15(19)20)17-8-9-21-16(11-17)6-1-2-7-16/h3-5,10H,1-2,6-9,11H2,(H,19,20) | | Definition date: | 2023-07-03 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | 3-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)benzoic acid |
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 | | WVK | | Name: | (2E)-N-(pyrimidin-2-yl)-3-(thiophen-2-yl)prop-2-enamide | | Formula: | C11 H9 N3 O S | | SMILES: | O=C(/C=C/c1cccs1)Nc1ncccn1 | | InChi: | InChI=1S/C11H9N3OS/c15-10(5-4-9-3-1-8-16-9)14-11-12-6-2-7-13-11/h1-8H,(H,12,13,14,15)/b5-4+ | | Definition date: | 2023-10-16 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | (2E)-N-(pyrimidin-2-yl)-3-(thiophen-2-yl)prop-2-enamide |
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 | | ZS5 | | Name: | (3R,4S,7aR)-5-oxo-7a-phenylhexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid | | Formula: | C13 H13 N O3 S | | SMILES: | O=C(O)C1CSC2(CCC(=O)N12)c1ccccc1 | | InChi: | InChI=1S/C13H13NO3S/c15-11-6-7-13(9-4-2-1-3-5-9)14(11)10(8-18-13)12(16)17/h1-5,10H,6-8H2,(H,16,17)/t10-,13+/m0/s1 | | Definition date: | 2023-07-03 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | (3R,4S,7aR)-5-oxo-7a-phenylhexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid |
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 | | XS8 | | Name: | (4~{S})-6-fluoranyl-3,4-dihydro-2~{H}-chromen-4-amine | | Formula: | C9 H10 F N O | | SMILES: | N[CH]1CCOc2ccc(F)cc12 | | InChi: | InChI=1S/C9H10FNO/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8H,3-4,11H2/t8-/m0/s1 | | Definition date: | 2023-11-09 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | (4~{S})-6-fluoranyl-3,4-dihydro-2~{H}-chromen-4-amine |
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 | | Y9J | | Name: | 2-[[(1~{R},2~{R},3~{a}~{S},9~{a}~{S})-2-oxidanyl-1-[(3~{S})-3-oxidanyloctyl]-2,3,3~{a},4,9,9~{a}-hexahydro-1~{H}-cyclopenta[g]naphthalen-5-yl]oxy]ethanoic acid | | Formula: | C23 H34 O5 | | SMILES: | CCCCC[CH](O)CC[CH]1[CH](O)C[CH]2Cc3c(C[CH]12)cccc3OCC(O)=O | | InChi: | InChI=1S/C23H34O5/c1-2-3-4-7-17(24)9-10-18-19-11-15-6-5-8-22(28-14-23(26)27)20(15)12-16(19)13-21(18)25/h5-6,8,16-19,21,24-25H,2-4,7,9-14H2,1H3,(H,26,27)/t16-,17-,18+,19-,21+/m0/s1 | | Definition date: | 2023-11-28 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | 2-[[(1~{R},2~{R},3~{a}~{S},9~{a}~{S})-2-oxidanyl-1-[(3~{S})-3-oxidanyloctyl]-2,3,3~{a},4,9,9~{a}-hexahydro-1~{H}-cyclopenta[g]naphthalen-5-yl]oxy]ethanoic acid |
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 | | Y9Q | | Name: | 2-[4-[(5,6-diphenylpyrazin-2-yl)-propan-2-yl-amino]butoxy]ethanoic acid | | Formula: | C25 H29 N3 O3 | | SMILES: | CC(C)N(CCCCOCC(O)=O)c1cnc(c2ccccc2)c(n1)c3ccccc3 | | InChi: | InChI=1S/C25H29N3O3/c1-19(2)28(15-9-10-16-31-18-23(29)30)22-17-26-24(20-11-5-3-6-12-20)25(27-22)21-13-7-4-8-14-21/h3-8,11-14,17,19H,9-10,15-16,18H2,1-2H3,(H,29,30) | | Definition date: | 2023-11-28 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | 2-[4-[(5,6-diphenylpyrazin-2-yl)-propan-2-yl-amino]butoxy]ethanoic acid |
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 | | YB3 | | Name: | 2-(8-fluoranyl-2-methyl-imidazo[1,2-a]pyridin-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline | | Formula: | C21 H21 F N6 | | SMILES: | CN1CCN(CC1)c2ccc3nc(ncc3c2)c4cn5cc(C)nc5c(F)c4 | | InChi: | InChI=1S/C21H21FN6/c1-14-12-28-13-16(10-18(22)21(28)24-14)20-23-11-15-9-17(3-4-19(15)25-20)27-7-5-26(2)6-8-27/h3-4,9-13H,5-8H2,1-2H3 | | Definition date: | 2023-11-30 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | 2-(8-fluoranyl-2-methyl-imidazo[1,2-a]pyridin-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline |
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 | | WYC | | Name: | 2-[2-[[3,5-bis(trifluoromethyl)phenyl]methylsulfanyl]ethanoylamino]-5-chloranyl-benzoic acid | | Formula: | C18 H12 Cl F6 N O3 S | | SMILES: | OC(=O)c1cc(Cl)ccc1NC(=O)CSCc2cc(cc(c2)C(F)(F)F)C(F)(F)F | | InChi: | InChI=1S/C18H12ClF6NO3S/c19-12-1-2-14(13(6-12)16(28)29)26-15(27)8-30-7-9-3-10(17(20,21)22)5-11(4-9)18(23,24)25/h1-6H,7-8H2,(H,26,27)(H,28,29) | | Definition date: | 2023-05-23 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | 2-[2-[[3,5-bis(trifluoromethyl)phenyl]methylsulfanyl]ethanoylamino]-5-chloranyl-benzoic acid |
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 | | UR9 | | Name: | (E)-4-methoxy-4-oxidanylidene-but-2-enoic acid | | Formula: | C5 H6 O4 | | SMILES: | COC(=O)C=CC(O)=O | | InChi: | InChI=1S/C5H6O4/c1-9-5(8)3-2-4(6)7/h2-3H,1H3,(H,6,7)/b3-2+ | | Synonyms: | Monomethyl fumarate | | Definition date: | 2023-06-18 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | (~{E})-4-methoxy-4-oxidanylidene-but-2-enoic acid |
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 | | XG7 | | Name: | 3-azanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzamide | | Formula: | C18 H18 N4 O2 | | SMILES: | CN1N(C(=O)C(=C1C)NC(=O)c2cccc(N)c2)c3ccccc3 | | InChi: | InChI=1S/C18H18N4O2/c1-12-16(20-17(23)13-7-6-8-14(19)11-13)18(24)22(21(12)2)15-9-4-3-5-10-15/h3-11H,19H2,1-2H3,(H,20,23) | | Synonyms: | 3-amino-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzamide | | Definition date: | 2023-11-01 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | 3-azanyl-~{N}-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzamide |
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 | | V70 | | Name: | ruthenium polypyridyl complex (delta enantiomer) | | Formula: | C38 H24 N6 Ru | | SMILES: | [N-]1c2c([N-][Ru]134([n+]5cccc6ccc7ccc[n+]3c7c56)[n+]8cccc9ccc%10ccc[n+]4c%10c89)c%11ccccc%11c%12ccccc2%12 | | InChi: | InChI=1S/C14H8N2.2C12H8N2.Ru/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16 | | Definition date: | 2023-02-23 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 |
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 | | X1Q | | Name: | ~{N}-[[1-[(~{E})-2-(2-methyl-3-phenyl-phenyl)ethenyl]-1,2,3,4-tetrazol-5-yl]methyl]ethanamine | | Formula: | C19 H21 N5 | | SMILES: | CCNCc1nnnn1C=Cc2cccc(c2C)c3ccccc3 | | InChi: | InChI=1S/C19H21N5/c1-3-20-14-19-21-22-23-24(19)13-12-16-10-7-11-18(15(16)2)17-8-5-4-6-9-17/h4-13,20H,3,14H2,1-2H3/b13-12+ | | Definition date: | 2023-05-30 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | ~{N}-[[1-[(~{E})-2-(2-methyl-3-phenyl-phenyl)ethenyl]-1,2,3,4-tetrazol-5-yl]methyl]ethanamine |
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