| WNF | Name: | (1S,2R)-2-[(3-methylphenoxy)methyl]cyclohexane-1-carboxylic acid | Formula: | C15 H20 O3 | SMILES: | O=C(O)C1CCCCC1COc1cc(C)ccc1 | InChi: | InChI=1S/C15H20O3/c1-11-5-4-7-13(9-11)18-10-12-6-2-3-8-14(12)15(16)17/h4-5,7,9,12,14H,2-3,6,8,10H2,1H3,(H,16,17)/t12-,14-/m0/s1 | Definition date: | 2023-05-15 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | (1S,2R)-2-[(3-methylphenoxy)methyl]cyclohexane-1-carboxylic acid |
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| P5Z | Name: | 6-chloro-4-(2-chlorophenoxy)-2-methylquinoline-3-carboxylic acid | Formula: | C17 H11 Cl2 N O3 | SMILES: | Clc1ccccc1Oc1c2cc(Cl)ccc2nc(C)c1C(=O)O | InChi: | InChI=1S/C17H11Cl2NO3/c1-9-15(17(21)22)16(23-14-5-3-2-4-12(14)19)11-8-10(18)6-7-13(11)20-9/h2-8H,1H3,(H,21,22) | Definition date: | 2023-05-05 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | 6-chloro-4-(2-chlorophenoxy)-2-methylquinoline-3-carboxylic acid |
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| WNL | Name: | (6M)-5-ethyl-6-(3-methoxyphenyl)-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one | Formula: | C14 H16 N2 O2 S | SMILES: | S=C1NC(c2cccc(OC)c2)=C(CC)C(=O)N1C | InChi: | InChI=1S/C14H16N2O2S/c1-4-11-12(15-14(19)16(2)13(11)17)9-6-5-7-10(8-9)18-3/h5-8H,4H2,1-3H3,(H,15,19) | Definition date: | 2023-05-15 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | (6M)-5-ethyl-6-(3-methoxyphenyl)-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
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| YJI | Name: | N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2-hydroxyethyl)sulfanyl]ethyl}-beta-alaninamide | Formula: | C13 H27 N2 O8 P S | SMILES: | O=C(NCCSCCO)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O | InChi: | InChI=1S/C13H27N2O8PS/c1-13(2,9-23-24(20,21)22)11(18)12(19)15-4-3-10(17)14-5-7-25-8-6-16/h11,16,18H,3-9H2,1-2H3,(H,14,17)(H,15,19)(H2,20,21,22)/t11-/m0/s1 | Definition date: | 2023-02-08 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2-hydroxyethyl)sulfanyl]ethyl}-beta-alaninamide |
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| WNR | Name: | 3-{[([1,1'-biphenyl]-2-yl)oxy]methyl}benzoic acid | Formula: | C20 H16 O3 | SMILES: | O=C(O)c1cccc(COc2ccccc2c2ccccc2)c1 | InChi: | InChI=1S/C20H16O3/c21-20(22)17-10-6-7-15(13-17)14-23-19-12-5-4-11-18(19)16-8-2-1-3-9-16/h1-13H,14H2,(H,21,22) | Definition date: | 2023-05-15 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | 3-{[([1,1'-biphenyl]-2-yl)oxy]methyl}benzoic acid |
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| XKB | Name: | 5'-O-[(3-Indolyl)-1-Ethyl]Carbamoyl 2-aminoethenoadenosine | Formula: | C23 H24 N8 O5 | SMILES: | Nc1nc2n(cnc2c3nccn13)[CH]4O[CH](COC(=O)NCCc5c[nH]c6ccccc56)[CH](O)[CH]4O | InChi: | InChI=1S/C23H24N8O5/c24-22-29-20-16(19-25-7-8-30(19)22)28-11-31(20)21-18(33)17(32)15(36-21)10-35-23(34)26-6-5-12-9-27-14-4-2-1-3-13(12)14/h1-4,7-9,11,15,17-18,21,27,32-33H,5-6,10H2,(H2,24,29)(H,26,34)/t15-,17-,18-,21-/m1/s1 | Synonyms: | [(2~{R},3~{S},4~{R},5~{R})-5-(5-azanylimidazo[2,1-f]purin-3-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[2-(1~{H}-indol-3-yl)ethyl]carbamate | 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-azanylimidazo[2,1-f]purin-3-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[2-(1~{H}-indol-3-yl)ethyl]carbamate |
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| XKF | Name: | 5'-O-[(3-Indolyl)-1-Ethyl]Carbamoyl N2-methyl-2-aminoethenoadenosine | Formula: | C24 H26 N8 O5 | SMILES: | CNc1nc2n(cnc2c3nccn13)[CH]4O[CH](COC(=O)NCCc5c[nH]c6ccccc56)[CH](O)[CH]4O | InChi: | InChI=1S/C24H26N8O5/c1-25-23-30-21-17(20-26-8-9-31(20)23)29-12-32(21)22-19(34)18(33)16(37-22)11-36-24(35)27-7-6-13-10-28-15-5-3-2-4-14(13)15/h2-5,8-10,12,16,18-19,22,28,33-34H,6-7,11H2,1H3,(H,25,30)(H,27,35)/t16-,18-,19-,22-/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}-[2-(1~{H}-indol-3-yl)ethyl]carbamate | 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}-[2-(1~{H}-indol-3-yl)ethyl]carbamate |
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| WNW | Name: | 4-methyl-N-{[(3aR,4R,5R,7R,7aR)-octahydro-1H-4,7-methanoinden-5-yl]carbamoyl}benzene-1-sulfonamide | Formula: | C18 H24 N2 O3 S | SMILES: | Cc1ccc(cc1)S(=O)(=O)NC(=O)NC1CC2CC1C1CCCC21 | InChi: | InChI=1S/C18H24N2O3S/c1-11-5-7-13(8-6-11)24(22,23)20-18(21)19-17-10-12-9-16(17)15-4-2-3-14(12)15/h5-8,12,14-17H,2-4,9-10H2,1H3,(H2,19,20,21)/t12-,14-,15-,16-,17-/m1/s1 | Definition date: | 2023-05-15 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | 4-methyl-N-{[(3aR,4R,5R,7R,7aR)-octahydro-1H-4,7-methanoinden-5-yl]carbamoyl}benzene-1-sulfonamide |
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| XKK | Name: | 5'-O-[N-(3-Indolepropionic acid)sulfamoyl] 2-aminoethenoadenosine | Formula: | C23 H24 N8 O7 S | SMILES: | Nc1nc2n(cnc2c3nccn13)[CH]4O[CH](CO[S](=O)(=O)NC(=O)CCc5c[nH]c6ccccc56)[CH](O)[CH]4O | InChi: | InChI=1S/C23H24N8O7S/c24-23-28-21-17(20-25-7-8-30(20)23)27-11-31(21)22-19(34)18(33)15(38-22)10-37-39(35,36)29-16(32)6-5-12-9-26-14-4-2-1-3-13(12)14/h1-4,7-9,11,15,18-19,22,26,33-34H,5-6,10H2,(H2,24,28)(H,29,32)/t15-,18-,19-,22-/m1/s1 | Synonyms: | [(2~{R},3~{S},4~{R},5~{R})-5-(5-azanylimidazo[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-azanylimidazo[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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| 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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| UUX | Name: | (2R,3S,4S)-6-benzyl-2-tert-butyl-5-methyl-4-phenyl-3-(1H-tetrazol-5-yl)-1,2,3,4-tetrahydropyridine | Formula: | C24 H29 N5 | SMILES: | CC(C)(C)C1NC(Cc2ccccc2)=C(C)C(C1c1nnn[NH]1)c1ccccc1 | InChi: | InChI=1S/C24H29N5/c1-16-19(15-17-11-7-5-8-12-17)25-22(24(2,3)4)21(23-26-28-29-27-23)20(16)18-13-9-6-10-14-18/h5-14,20-22,25H,15H2,1-4H3,(H,26,27,28,29)/t20-,21+,22-/m1/s1 | Definition date: | 2023-05-09 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | (2R,3S,4S)-6-benzyl-2-tert-butyl-5-methyl-4-phenyl-3-(1H-tetrazol-5-yl)-1,2,3,4-tetrahydropyridine |
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| WOB | Name: | 5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid | Formula: | C15 H8 Cl F6 N O3 | SMILES: | FC(F)(F)c1nc(OCC(F)(F)F)c(cc1C(=O)O)c1ccc(Cl)cc1 | InChi: | InChI=1S/C15H8ClF6NO3/c16-8-3-1-7(2-4-8)9-5-10(13(24)25)11(15(20,21)22)23-12(9)26-6-14(17,18)19/h1-5H,6H2,(H,24,25) | Definition date: | 2023-05-15 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | 5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid |
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| UV3 | Name: | 7-bromo-L-tryptophan | Formula: | C11 H11 Br N2 O2 | SMILES: | N[CH](Cc1c[nH]c2c(Br)cccc12)C(O)=O | InChi: | InChI=1S/C11H11BrN2O2/c12-8-3-1-2-7-6(5-14-10(7)8)4-9(13)11(15)16/h1-3,5,9,14H,4,13H2,(H,15,16)/t9-/m0/s1 | Definition date: | 2023-02-14 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | (2~{S})-2-azanyl-3-(7-bromanyl-1~{H}-indol-3-yl)propanoic acid |
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| WOI | Name: | 4-[(4-fluorophenyl)sulfanyl]-6-methyl-2-phenylpyrimidine-5-carboxylic acid | Formula: | C18 H13 F N2 O2 S | SMILES: | Fc1ccc(cc1)Sc1nc(nc(C)c1C(=O)O)c1ccccc1 | InChi: | InChI=1S/C18H13FN2O2S/c1-11-15(18(22)23)17(24-14-9-7-13(19)8-10-14)21-16(20-11)12-5-3-2-4-6-12/h2-10H,1H3,(H,22,23) | Definition date: | 2023-05-15 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | 4-[(4-fluorophenyl)sulfanyl]-6-methyl-2-phenylpyrimidine-5-carboxylic acid |
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| P6X | Name: | 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-1,2,4-triazin-5-ol | Formula: | C10 H7 Cl2 N3 O S | SMILES: | Oc1nc(SCc2ccc(Cl)c(Cl)c2)nnc1 | InChi: | InChI=1S/C10H7Cl2N3OS/c11-7-2-1-6(3-8(7)12)5-17-10-14-9(16)4-13-15-10/h1-4H,5H2,(H,14,15,16) | Definition date: | 2023-05-05 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-1,2,4-triazin-5-ol |
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| 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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| Q0O | Name: | (6S)-6-{[(4aM)-9H-fluoren-9-ylidene]methyl}-4-hydroxy-5,6-dihydro-2H-pyran-2-one | Formula: | C19 H14 O3 | SMILES: | O=C1C=C(O)CC(/C=C2c3ccccc3c3ccccc23)O1 | InChi: | InChI=1S/C19H14O3/c20-12-9-13(22-19(21)10-12)11-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,10-11,13,20H,9H2/t13-/m0/s1 | Definition date: | 2023-05-05 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | (6S)-6-{[(4aM)-9H-fluoren-9-ylidene]methyl}-4-hydroxy-5,6-dihydro-2H-pyran-2-one |
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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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| 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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| SUX | Name: | (3P)-2-[(2S)-oxolan-2-yl]-4-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine | Formula: | C21 H23 N5 O | SMILES: | C1CCCCc2c1nc(C1CCCO1)c(c1nnn[NH]1)c2c1ccccc1 | InChi: | InChI=1S/C21H23N5O/c1-3-8-14(9-4-1)18-15-10-5-2-6-11-16(15)22-20(17-12-7-13-27-17)19(18)21-23-25-26-24-21/h1,3-4,8-9,17H,2,5-7,10-13H2,(H,23,24,25,26)/t17-/m0/s1 | Definition date: | 2023-05-09 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | (3P)-2-[(2S)-oxolan-2-yl]-4-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine |
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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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| Q1I | Name: | (3P)-6-cyclopentyl-N,5-dimethyl-4-phenyl-N-(propan-2-yl)-3-(1H-tetrazol-5-yl)pyridin-2-amine | Formula: | C22 H28 N6 | SMILES: | CC(C)N(C)c1nc(C2CCCC2)c(C)c(c1c1nnn[NH]1)c1ccccc1 | InChi: | InChI=1S/C22H28N6/c1-14(2)28(4)22-19(21-24-26-27-25-21)18(16-10-6-5-7-11-16)15(3)20(23-22)17-12-8-9-13-17/h5-7,10-11,14,17H,8-9,12-13H2,1-4H3,(H,24,25,26,27) | Definition date: | 2023-05-05 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | (3P)-6-cyclopentyl-N,5-dimethyl-4-phenyl-N-(propan-2-yl)-3-(1H-tetrazol-5-yl)pyridin-2-amine |
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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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| 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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| 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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