 | | WON | | Name: | 6-[(2H-1,3-benzodioxol-5-yl)methyl]-3-sulfanyl-1,2,4-triazin-5-ol | | Formula: | C11 H9 N3 O3 S | | SMILES: | Oc1nc(S)nnc1Cc1ccc2OCOc2c1 | | InChi: | InChI=1S/C11H9N3O3S/c15-10-7(13-14-11(18)12-10)3-6-1-2-8-9(4-6)17-5-16-8/h1-2,4H,3,5H2,(H2,12,14,15,18) | | Definition date: | 2023-05-15 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 6-[(2H-1,3-benzodioxol-5-yl)methyl]-3-sulfanyl-1,2,4-triazin-5-ol |
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 | | XKO | | Name: | 5'-O-[N-(3-Indolepropionic acid)sulfamoyl] N2-methyl-2-aminoethenoadenosine | | Formula: | C24 H26 N8 O7 S | | SMILES: | CNc1nc2n(cnc2c3nccn13)[CH]4O[CH](CO[S](=O)(=O)NC(=O)CCc5c[nH]c6ccccc56)[CH](O)[CH]4O | | InChi: | InChI=1S/C24H26N8O7S/c1-25-24-29-22-18(21-26-8-9-31(21)24)28-12-32(22)23-20(35)19(34)16(39-23)11-38-40(36,37)30-17(33)7-6-13-10-27-15-5-3-2-4-14(13)15/h2-5,8-10,12,16,19-20,23,27,34-35H,6-7,11H2,1H3,(H,25,29)(H,30,33)/t16-,19-,20-,23-/m1/s1 | | Synonyms: | [(2~{R},3~{S},4~{R},5~{R})-5-[5-(methylamino)imidazo[2,1-f]purin-3-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[3-(1~{H}-indol-3-yl)propanoyl]sulfamate | | Definition date: | 2023-06-07 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-[5-(methylamino)imidazo[2,1-f]purin-3-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[3-(1~{H}-indol-3-yl)propanoyl]sulfamate |
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 | | W7U | | Name: | (5R)-3-{[(4-chlorophenyl)sulfanyl]methyl}-1-methyl-4,5-dihydro-1H-pyrazol-5-ol | | Formula: | C11 H13 Cl N2 O S | | SMILES: | CN1N=C(CSc2ccc(Cl)cc2)CC1O | | InChi: | InChI=1S/C11H13ClN2OS/c1-14-11(15)6-9(13-14)7-16-10-4-2-8(12)3-5-10/h2-5,11,15H,6-7H2,1H3 | | Definition date: | 2023-05-09 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (5R)-3-{[(4-chlorophenyl)sulfanyl]methyl}-1-methyl-4,5-dihydro-1H-pyrazol-5-ol |
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 | | WOU | | Name: | (1R,2S)-2-{[(3M)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid | | Formula: | C19 H23 N3 O4 S | | SMILES: | O=C(O)C1CCCCC1C(=O)Nc1sc2CCCCc2c1c1nc(C)no1 | | InChi: | InChI=1S/C19H23N3O4S/c1-10-20-17(26-22-10)15-13-8-4-5-9-14(13)27-18(15)21-16(23)11-6-2-3-7-12(11)19(24)25/h11-12H,2-9H2,1H3,(H,21,23)(H,24,25)/t11-,12+/m0/s1 | | Definition date: | 2023-05-15 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (1R,2S)-2-{[(3M)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid |
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 | | W7Z | | Name: | (8S)-5-[(3-chloro-2-methylphenoxy)methyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one | | Formula: | C19 H15 Cl N4 O2 | | SMILES: | Clc1cccc(OCC2=CC(=O)n3nc(nc3N2)c2ccccc2)c1C | | InChi: | InChI=1S/C19H15ClN4O2/c1-12-15(20)8-5-9-16(12)26-11-14-10-17(25)24-19(21-14)22-18(23-24)13-6-3-2-4-7-13/h2-10H,11H2,1H3,(H,21,22,23) | | Definition date: | 2023-05-09 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (8S)-5-[(3-chloro-2-methylphenoxy)methyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
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 | | WP0 | | Name: | (1R,2R)-2-{[(3M)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid | | Formula: | C19 H23 N3 O4 S | | SMILES: | O=C(O)C1CCCCC1C(=O)Nc1sc2CCCCc2c1c1nc(C)no1 | | InChi: | InChI=1S/C19H23N3O4S/c1-10-20-17(26-22-10)15-13-8-4-5-9-14(13)27-18(15)21-16(23)11-6-2-3-7-12(11)19(24)25/h11-12H,2-9H2,1H3,(H,21,23)(H,24,25)/t11-,12+/m1/s1 | | Definition date: | 2023-05-15 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (1R,2R)-2-{[(3M)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid |
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 | | WP8 | | Name: | 4-chloro-2,5-dimethyl-N-(1-methyl-1H-pyrazol-5-yl)benzene-1-sulfonamide | | Formula: | C12 H14 Cl N3 O2 S | | SMILES: | O=S(=O)(Nc1ccnn1C)c1cc(C)c(Cl)cc1C | | InChi: | InChI=1S/C12H14ClN3O2S/c1-8-7-11(9(2)6-10(8)13)19(17,18)15-12-4-5-14-16(12)3/h4-7,15H,1-3H3 | | Definition date: | 2023-05-15 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 4-chloro-2,5-dimethyl-N-(1-methyl-1H-pyrazol-5-yl)benzene-1-sulfonamide |
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 | | VS5 | | Name: | (3M)-4-(4-fluorophenyl)-2-(piperidin-1-yl)-3-(1H-tetrazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine | | Formula: | C20 H21 F N6 O | | SMILES: | Fc1ccc(cc1)c1c2COCCc2nc(c1c1nnn[NH]1)N1CCCCC1 | | InChi: | InChI=1S/C20H21FN6O/c21-14-6-4-13(5-7-14)17-15-12-28-11-8-16(15)22-20(27-9-2-1-3-10-27)18(17)19-23-25-26-24-19/h4-7H,1-3,8-12H2,(H,23,24,25,26) | | Definition date: | 2023-05-09 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (3M)-4-(4-fluorophenyl)-2-(piperidin-1-yl)-3-(1H-tetrazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine |
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 | | W8C | | Name: | 5-(benzyloxy)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol | | Formula: | C12 H13 N3 O S | | SMILES: | C=CCn1c(S)nnc1OCc1ccccc1 | | InChi: | InChI=1S/C12H13N3OS/c1-2-8-15-11(13-14-12(15)17)16-9-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H,14,17) | | Definition date: | 2023-05-09 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 5-(benzyloxy)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol |
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 | | QX0 | | Name: | 2-(3-cyanoanilino)benzoic acid | | Formula: | C14 H10 N2 O2 | | SMILES: | O=C(O)c1ccccc1Nc1cccc(C#N)c1 | | InChi: | InChI=1S/C14H10N2O2/c15-9-10-4-3-5-11(8-10)16-13-7-2-1-6-12(13)14(17)18/h1-8,16H,(H,17,18) | | Definition date: | 2023-05-08 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 2-(3-cyanoanilino)benzoic acid |
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 | | W8H | | Name: | (2S)-6-[(4-chlorophenyl)sulfanyl]-2-[(4-methylphenyl)sulfanyl]hexanoic acid | | Formula: | C19 H21 Cl O2 S2 | | SMILES: | Clc1ccc(SCCCCC(Sc2ccc(C)cc2)C(=O)O)cc1 | | InChi: | InChI=1S/C19H21ClO2S2/c1-14-5-9-17(10-6-14)24-18(19(21)22)4-2-3-13-23-16-11-7-15(20)8-12-16/h5-12,18H,2-4,13H2,1H3,(H,21,22)/t18-/m0/s1 | | Definition date: | 2023-05-09 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (2S)-6-[(4-chlorophenyl)sulfanyl]-2-[(4-methylphenyl)sulfanyl]hexanoic acid |
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 | | WPK | | Name: | 6-chloro-5-fluoro-1H-benzimidazole | | Formula: | C7 H4 Cl F N2 | | SMILES: | Fc1cc2nc[NH]c2cc1Cl | | InChi: | InChI=1S/C7H4ClFN2/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-3H,(H,10,11) | | Definition date: | 2023-05-15 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 6-chloro-5-fluoro-1H-benzimidazole |
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 | | W8N | | Name: | 5-(3-bromo-4-methylphenyl)-3,3-dimethyl-5-oxopentanoic acid | | Formula: | C14 H17 Br O3 | | SMILES: | Cc1ccc(cc1Br)C(=O)CC(C)(C)CC(=O)O | | InChi: | InChI=1S/C14H17BrO3/c1-9-4-5-10(6-11(9)15)12(16)7-14(2,3)8-13(17)18/h4-6H,7-8H2,1-3H3,(H,17,18) | | Definition date: | 2023-05-09 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 5-(3-bromo-4-methylphenyl)-3,3-dimethyl-5-oxopentanoic acid |
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 | | UXR | | Name: | (2S)-2-phosphonopropanoic acid | | Formula: | C3 H7 O5 P | | SMILES: | O=C(O)C(C)P(=O)(O)O | | InChi: | InChI=1S/C3H7O5P/c1-2(3(4)5)9(6,7)8/h2H,1H3,(H,4,5)(H2,6,7,8)/t2-/m0/s1 | | Definition date: | 2022-08-28 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (2S)-2-phosphonopropanoic acid |
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 | | WPQ | | Name: | 2-{[3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid | | Formula: | C14 H15 N O5 S | | SMILES: | CCOC(=O)c1ccsc1NC(=O)C=1CCCC=1C(=O)O | | InChi: | InChI=1S/C14H15NO5S/c1-2-20-14(19)10-6-7-21-12(10)15-11(16)8-4-3-5-9(8)13(17)18/h6-7H,2-5H2,1H3,(H,15,16)(H,17,18) | | Definition date: | 2023-05-15 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 2-{[3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid |
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 | | W8T | | Name: | (2R,3S)-2-(phenoxymethyl)-1-phenylpyrrolidine-3-carboxylic acid | | Formula: | C18 H19 N O3 | | SMILES: | O=C(O)C1CCN(c2ccccc2)C1COc1ccccc1 | | InChi: | InChI=1S/C18H19NO3/c20-18(21)16-11-12-19(14-7-3-1-4-8-14)17(16)13-22-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,20,21)/t16-,17-/m0/s1 | | Definition date: | 2023-05-09 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (2R,3S)-2-(phenoxymethyl)-1-phenylpyrrolidine-3-carboxylic acid |
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 | | WPU | | Name: | (3R,4R,7aS)-3-(3,4-dichlorophenyl)-1H,3H-imidazo[1,5-c][1,3]thiazole-5,7(6H,7aH)-dione | | Formula: | C11 H8 Cl2 N2 O2 S | | SMILES: | Clc1ccc(cc1Cl)C1SCC2C(=O)NC(=O)N12 | | InChi: | InChI=1S/C11H8Cl2N2O2S/c12-6-2-1-5(3-7(6)13)10-15-8(4-18-10)9(16)14-11(15)17/h1-3,8,10H,4H2,(H,14,16,17)/t8-,10-/m1/s1 | | Definition date: | 2023-05-15 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (3R,4R,7aS)-3-(3,4-dichlorophenyl)-1H,3H-imidazo[1,5-c][1,3]thiazole-5,7(6H,7aH)-dione |
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 | | LM9 | | Name: | (5P)-5-[2-(2,4-dichlorophenoxy)phenyl]-2H-tetrazole | | Formula: | C13 H8 Cl2 N4 O | | SMILES: | Clc1ccc(Oc2ccccc2c2n[NH]nn2)c(Cl)c1 | | InChi: | InChI=1S/C13H8Cl2N4O/c14-8-5-6-12(10(15)7-8)20-11-4-2-1-3-9(11)13-16-18-19-17-13/h1-7H,(H,16,17,18,19) | | Definition date: | 2023-05-05 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (5P)-5-[2-(2,4-dichlorophenoxy)phenyl]-2H-tetrazole |
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 | | WPZ | | Name: | 6-methyl-3-phenyl-1,2,4-triazin-5-ol | | Formula: | C10 H9 N3 O | | SMILES: | Oc1nc(nnc1C)c1ccccc1 | | InChi: | InChI=1S/C10H9N3O/c1-7-10(14)11-9(13-12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,13,14) | | Definition date: | 2023-05-15 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 6-methyl-3-phenyl-1,2,4-triazin-5-ol |
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 | | W90 | | Name: | 5-(3,5-dichloroanilino)-3,3-dimethyl-5-oxopentanoic acid | | Formula: | C13 H15 Cl2 N O3 | | SMILES: | Clc1cc(NC(=O)CC(C)(C)CC(=O)O)cc(Cl)c1 | | InChi: | InChI=1S/C13H15Cl2NO3/c1-13(2,7-12(18)19)6-11(17)16-10-4-8(14)3-9(15)5-10/h3-5H,6-7H2,1-2H3,(H,16,17)(H,18,19) | | Definition date: | 2023-05-09 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 5-(3,5-dichloroanilino)-3,3-dimethyl-5-oxopentanoic acid |
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 | | S4I | | Name: | (3S)-1-[(4-chlorophenyl)methyl]-3-hydroxypyrrolidine-2,4-dione | | Formula: | C11 H10 Cl N O3 | | SMILES: | Clc1ccc(CN2CC(=O)C(O)C2=O)cc1 | | InChi: | InChI=1S/C11H10ClNO3/c12-8-3-1-7(2-4-8)5-13-6-9(14)10(15)11(13)16/h1-4,10,15H,5-6H2/t10-/m0/s1 | | Definition date: | 2023-05-09 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (3S)-1-[(4-chlorophenyl)methyl]-3-hydroxypyrrolidine-2,4-dione |
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 | | WQ3 | | Name: | 2-{[(2M)-5-chloro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl}cyclopent-1-ene-1-carboxylic acid | | Formula: | C16 H14 Cl N3 O4 | | SMILES: | Cc1nc(on1)c1ccc(Cl)cc1NC(=O)C=1CCCC=1C(=O)O | | InChi: | InChI=1S/C16H14ClN3O4/c1-8-18-15(24-20-8)12-6-5-9(17)7-13(12)19-14(21)10-3-2-4-11(10)16(22)23/h5-7H,2-4H2,1H3,(H,19,21)(H,22,23) | | Definition date: | 2023-05-15 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 2-{[(2M)-5-chloro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl}cyclopent-1-ene-1-carboxylic acid |
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 | | W95 | | Name: | (1S,2S)-2-({[(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}carbonyl)cyclopropane-1-carboxylic acid | | Formula: | C15 H24 O4 | | SMILES: | O=C(OC1CC(C)CCC1C(C)C)C1CC1C(=O)O | | InChi: | InChI=1S/C15H24O4/c1-8(2)10-5-4-9(3)6-13(10)19-15(18)12-7-11(12)14(16)17/h8-13H,4-7H2,1-3H3,(H,16,17)/t9-,10+,11+,12+,13-/m1/s1 | | Definition date: | 2023-05-09 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (1S,2S)-2-({[(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}carbonyl)cyclopropane-1-carboxylic acid |
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 | | UK0 | | Name: | (4~{a}~{R},5~{S},6~{R},8~{a}~{R})-5-[2-(furan-3-yl)ethyl]-5,6,8~{a}-trimethyl-3,4,4~{a},6,7,8-hexahydronaphthalene-1-carboxylic acid | | Formula: | C20 H28 O3 | | SMILES: | C[CH]1CC[C]2(C)[CH](CCC=C2C(O)=O)[C]1(C)CCc3cocc3 | | InChi: | InChI=1S/C20H28O3/c1-14-7-10-20(3)16(18(21)22)5-4-6-17(20)19(14,2)11-8-15-9-12-23-13-15/h5,9,12-14,17H,4,6-8,10-11H2,1-3H3,(H,21,22)/t14-,17-,19+,20+/m1/s1 | | Definition date: | 2023-06-07 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (4~{a}~{R},5~{S},6~{R},8~{a}~{R})-5-[2-(furan-3-yl)ethyl]-5,6,8~{a}-trimethyl-3,4,4~{a},6,7,8-hexahydronaphthalene-1-carboxylic acid |
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 | | WQ8 | | Name: | (1R,2R,3R,4S)-3-(1,3-benzothiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxylic acid | | Formula: | C15 H15 N O2 S | | SMILES: | O=C(O)C1C2CCC(C2)C1c1nc2ccccc2s1 | | InChi: | InChI=1S/C15H15NO2S/c17-15(18)13-9-6-5-8(7-9)12(13)14-16-10-3-1-2-4-11(10)19-14/h1-4,8-9,12-13H,5-7H2,(H,17,18)/t8-,9+,12+,13+/m0/s1 | | Definition date: | 2023-05-15 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (1R,2R,3R,4S)-3-(1,3-benzothiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxylic acid |
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