 | | UZG | | Name: | 2-[4-(3,4-dimethoxyphenoxy)phenyl]-1H-benzimidazole-6-carboximidamide | | Formula: | C22 H20 N4 O3 | | SMILES: | COc1c(OC)ccc(c1)Oc2ccc(cc2)c4nc3ccc(cc3n4)C(=N)N | | InChi: | InChI=1S/C22H20N4O3/c1-27-19-10-8-16(12-20(19)28-2)29-15-6-3-13(4-7-15)22-25-17-9-5-14(21(23)24)11-18(17)26-22/h3-12H,1-2H3,(H3,23,24)(H,25,26) | | Definition date: | 2020-06-08 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | 2-[4-(3,4-dimethoxyphenoxy)phenyl]-1H-benzimidazole-6-carboximidamide |
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 | | V8G | | Name: | trans-4-butylcyclohexane-1-carboxylic acid | | Formula: | C11 H20 O2 | | SMILES: | C1C(C(=O)O)CCC(C1)CCCC | | InChi: | InChI=1S/C11H20O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h9-10H,2-8H2,1H3,(H,12,13)/t9-,10- | | Definition date: | 2020-07-16 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | trans-4-butylcyclohexane-1-carboxylic acid |
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 | | VBS | | Name: | (3S)-3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]-3-methyl-1,3-dihydro-2H-indol-2-one | | Formula: | C28 H25 N7 O | | SMILES: | c12c(ncnc1n(CC)c(n2)c3cnc(nc3)C)c5ccc6NC(C(C)(Cc4ccccc4)c6c5)=O | | InChi: | InChI=1S/C28H25N7O/c1-4-35-25(20-14-29-17(2)30-15-20)34-24-23(31-16-32-26(24)35)19-10-11-22-21(12-19)28(3,27(36)33-22)13-18-8-6-5-7-9-18/h5-12,14-16H,4,13H2,1-3H3,(H,33,36)/t28-/m0/s1 | | Definition date: | 2020-07-24 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | (3S)-3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]-3-methyl-1,3-dihydro-2H-indol-2-one |
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 | | WT7 | | Name: | 5'-O-[(S)-butoxy(hydroxy)phosphoryl]adenosine | | Formula: | C14 H22 N5 O7 P | | SMILES: | C1(C(C(C(O1)n3cnc2c(N)ncnc23)O)O)COP(OCCCC)(=O)O | | InChi: | InChI=1S/C14H22N5O7P/c1-2-3-4-24-27(22,23)25-5-8-10(20)11(21)14(26-8)19-7-18-9-12(15)16-6-17-13(9)19/h6-8,10-11,14,20-21H,2-5H2,1H3,(H,22,23)(H2,15,16,17)/t8-,10-,11-,14-/m1/s1 | | Definition date: | 2020-11-06 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | 5'-O-[(S)-butoxy(hydroxy)phosphoryl]adenosine |
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 | | VYV | | Name: | 4-[({2-[(phenylcarbamoyl)amino]ethyl}sulfonyl)amino]benzene-1-sulfonamide | | Formula: | C15 H18 N4 O5 S2 | | SMILES: | c1ccccc1NC(NCCS(Nc2ccc(cc2)S(=O)(=O)N)(=O)=O)=O | | InChi: | InChI=1S/C15H18N4O5S2/c16-26(23,24)14-8-6-13(7-9-14)19-25(21,22)11-10-17-15(20)18-12-4-2-1-3-5-12/h1-9,19H,10-11H2,(H2,16,23,24)(H2,17,18,20) | | Definition date: | 2020-09-22 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | 4-[({2-[(phenylcarbamoyl)amino]ethyl}sulfonyl)amino]benzene-1-sulfonamide |
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 | | VYY | | Name: | 4-{[(2-{[(4-methylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide | | Formula: | C16 H20 N4 O5 S2 | | SMILES: | N(C(NCCS(Nc1ccc(S(=O)(=O)N)cc1)(=O)=O)=O)c2ccc(C)cc2 | | InChi: | InChI=1S/C16H20N4O5S2/c1-12-2-4-13(5-3-12)19-16(21)18-10-11-26(22,23)20-14-6-8-15(9-7-14)27(17,24)25/h2-9,20H,10-11H2,1H3,(H2,17,24,25)(H2,18,19,21) | | Definition date: | 2020-09-22 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | 4-{[(2-{[(4-methylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide |
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 | | VZ1 | | Name: | 4-{[(2-{[(3,5-dimethylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide | | Formula: | C17 H22 N4 O5 S2 | | SMILES: | c2c(NC(NCCS(Nc1ccc(S(=O)(=O)N)cc1)(=O)=O)=O)cc(cc2C)C | | InChi: | InChI=1S/C17H22N4O5S2/c1-12-9-13(2)11-15(10-12)20-17(22)19-7-8-27(23,24)21-14-3-5-16(6-4-14)28(18,25)26/h3-6,9-11,21H,7-8H2,1-2H3,(H2,18,25,26)(H2,19,20,22) | | Definition date: | 2020-09-23 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | 4-{[(2-{[(3,5-dimethylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide |
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 | | VZD | | Name: | 4-{[(2-{[(4-fluorophenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide | | Formula: | C15 H17 F N4 O5 S2 | | SMILES: | N(c1ccc(F)cc1)C(NCCS(Nc2ccc(cc2)S(N)(=O)=O)(=O)=O)=O | | InChi: | InChI=1S/C15H17FN4O5S2/c16-11-1-3-12(4-2-11)19-15(21)18-9-10-26(22,23)20-13-5-7-14(8-6-13)27(17,24)25/h1-8,20H,9-10H2,(H2,17,24,25)(H2,18,19,21) | | Definition date: | 2020-09-23 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | 4-{[(2-{[(4-fluorophenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide |
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 | | WZD | | Name: | N-[(furan-2-yl)methyl]-1H-benzimidazol-2-amine | | Formula: | C12 H11 N3 O | | SMILES: | c1cccc2c1nc(n2)NCc3ccco3 | | InChi: | InChI=1S/C12H11N3O/c1-2-6-11-10(5-1)14-12(15-11)13-8-9-4-3-7-16-9/h1-7H,8H2,(H2,13,14,15) | | Definition date: | 2020-11-18 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | N-[(furan-2-yl)methyl]-1H-benzimidazol-2-amine |
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 | | G5O | | Name: | 2-[[2-chloranyl-5-(phenylsulfonyl)phenyl]carbonylamino]benzoic acid | | Formula: | C20 H14 Cl N O5 S | | SMILES: | OC(=O)c1ccccc1NC(=O)c2cc(ccc2Cl)[S](=O)(=O)c3ccccc3 | | InChi: | InChI=1S/C20H14ClNO5S/c21-17-11-10-14(28(26,27)13-6-2-1-3-7-13)12-16(17)19(23)22-18-9-5-4-8-15(18)20(24)25/h1-12H,(H,22,23)(H,24,25) | | Definition date: | 2020-07-28 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | 2-[[2-chloranyl-5-(phenylsulfonyl)phenyl]carbonylamino]benzoic acid |
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 | | DJM | | Name: | 2-{[1-(3,5-dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}-N-hydroxyacetamide | | Formula: | C13 H15 N3 O2 S | | SMILES: | Cc1cc(cc(c1)C)n2ccnc2SCC(=O)NO | | InChi: | InChI=1S/C13H15N3O2S/c1-9-5-10(2)7-11(6-9)16-4-3-14-13(16)19-8-12(17)15-18/h3-7,18H,8H2,1-2H3,(H,15,17) | | Definition date: | 2017-10-27 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | 2-{[1-(3,5-dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}-N-hydroxyacetamide |
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 | | EGO | | Name: | 5-[5-(4-chloranyl-3-fluoranyl-phenyl)-4-methyl-pyrazol-1-yl]-2-phenylmethoxy-benzoic acid | | Formula: | C24 H18 Cl F N2 O3 | | SMILES: | Cc1cnn(c2ccc(OCc3ccccc3)c(c2)C(O)=O)c1c4ccc(Cl)c(F)c4 | | InChi: | InChI=1S/C24H18ClFN2O3/c1-15-13-27-28(23(15)17-7-9-20(25)21(26)11-17)18-8-10-22(19(12-18)24(29)30)31-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,29,30) | | Definition date: | 2019-12-20 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | 5-[5-(4-chloranyl-3-fluoranyl-phenyl)-4-methyl-pyrazol-1-yl]-2-phenylmethoxy-benzoic acid |
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 | | EGU | | Name: | 4-chloranyl-2-[[5-chloranyl-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-1,3-thiazol-4-yl]carbonyl-methyl-amino]-5-fluoranyl-benzoic acid | | Formula: | C21 H16 Cl2 F N3 O4 S | | SMILES: | COc1ccc2CN(Cc2c1)c3sc(Cl)c(n3)C(=O)N(C)c4cc(Cl)c(F)cc4C(O)=O | | InChi: | InChI=1S/C21H16Cl2FN3O4S/c1-26(16-7-14(22)15(24)6-13(16)20(29)30)19(28)17-18(23)32-21(25-17)27-8-10-3-4-12(31-2)5-11(10)9-27/h3-7H,8-9H2,1-2H3,(H,29,30) | | Definition date: | 2019-12-20 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | 4-chloranyl-2-[[5-chloranyl-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-1,3-thiazol-4-yl]carbonyl-methyl-amino]-5-fluoranyl-benzoic acid |
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 | | EJ6 | | Name: | 5-chloro-N-((1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)-4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-sulfonamide | | Formula: | C22 H24 Cl F N4 O5 S | | SMILES: | C[CH]([CH](N[S](=O)(=O)c1ccc(Cl)c2N(C)CCOc12)C3=NNC(=O)O3)c4c(F)ccc(C)c4C | | InChi: | InChI=1S/C22H24ClFN4O5S/c1-11-5-7-15(24)17(12(11)2)13(3)18(21-25-26-22(29)33-21)27-34(30,31)16-8-6-14(23)19-20(16)32-10-9-28(19)4/h5-8,13,18,27H,9-10H2,1-4H3,(H,26,29)/t13-,18+/m1/s1 | | Definition date: | 2019-12-27 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | 5-chloranyl-~{N}-[(1~{S},2~{R})-2-(6-fluoranyl-2,3-dimethyl-phenyl)-1-(2-oxidanylidene-3~{H}-1,3,4-oxadiazol-5-yl)propyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-8-sulfonamide |
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 | | QFN | | Name: | (4~{R})-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-methyl-4~{H}-pyrrolo[3,4-c]pyrazol-6-one | | Formula: | C22 H21 Cl N4 O2 | | SMILES: | CN1C=C(C=C(C)C1=O)N2[CH](c3ccc(Cl)cc3)c4c(C)nn(C5CC5)c4C2=O | | InChi: | InChI=1S/C22H21ClN4O2/c1-12-10-17(11-25(3)21(12)28)26-19(14-4-6-15(23)7-5-14)18-13(2)24-27(16-8-9-16)20(18)22(26)29/h4-7,10-11,16,19H,8-9H2,1-3H3/t19-/m1/s1 | | Definition date: | 2020-06-15 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | (4~{R})-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-methyl-4~{H}-pyrrolo[3,4-c]pyrazol-6-one |
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 | | QRM | | Name: | 3-aminocyclohexa-1,3-diene-1-carboxylic acid | | Formula: | C7 H9 N O2 | | SMILES: | C(=O)(O)C=1CCC=C(C=1)N | | InChi: | InChI=1S/C7H9NO2/c8-6-3-1-2-5(4-6)7(9)10/h3-4H,1-2,8H2,(H,9,10) | | Definition date: | 2019-12-11 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-16 | | Identifier: | 3-aminocyclohexa-1,3-diene-1-carboxylic acid |
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 | | QRN | | Name: | 5-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxy-phenol | | Formula: | C16 H15 N O2 S | | SMILES: | COc1ccc(CCc2sc3ccccc3n2)cc1O | | InChi: | InChI=1S/C16H15NO2S/c1-19-14-8-6-11(10-13(14)18)7-9-16-17-12-4-2-3-5-15(12)20-16/h2-6,8,10,18H,7,9H2,1H3 | | Definition date: | 2020-07-30 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | 5-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxy-phenol |
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 | | QRQ | | Name: | 2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzothiazole | | Formula: | C18 H19 N O3 S | | SMILES: | COc1cc(CCc2sc3ccccc3n2)cc(OC)c1OC | | InChi: | InChI=1S/C18H19NO3S/c1-20-14-10-12(11-15(21-2)18(14)22-3)8-9-17-19-13-6-4-5-7-16(13)23-17/h4-7,10-11H,8-9H2,1-3H3 | | Definition date: | 2020-07-30 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | 2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzothiazole |
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 | | QU7 | | Name: | (1S,3aS,6aS)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol | | Formula: | C28 H34 O | | SMILES: | C21CC(=C(C1(CCC2O)/C(c3ccccc3)=C)c4ccccc4)CCCCCC | | InChi: | InChI=1S/C28H34O/c1-3-4-5-8-17-24-20-25-26(29)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26,29H,2-5,8,17-20H2,1H3/t25-,26+,28-/m1/s1 | | Synonyms: | SS-RJW100 | | Definition date: | 2019-12-20 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | (1S,3aS,6aS)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol |
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 | | M7H | | Name: | 1-[4-[2-(4-methoxyphenyl)-5-methyl-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]ethanone | | Formula: | C21 H24 N4 O2 | | SMILES: | COc1ccc(cc1)c2cnc3n(C)c(cc3n2)C4CCN(CC4)C(C)=O | | InChi: | InChI=1S/C21H24N4O2/c1-14(26)25-10-8-16(9-11-25)20-12-18-21(24(20)2)22-13-19(23-18)15-4-6-17(27-3)7-5-15/h4-7,12-13,16H,8-11H2,1-3H3 | | Definition date: | 2019-10-03 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | 1-[4-[2-(4-methoxyphenyl)-5-methyl-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]ethanone |
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 | | Q6E | | Name: | (1~{S},3~{R})-3-acetamido-~{N}-[5-chloranyl-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide | | Formula: | C22 H28 Cl N5 O2 | | SMILES: | CC(=O)N[CH]1CCC[CH](C1)C(=O)Nc2cc(c(Cl)cn2)c3cnn4CC(C)(C)Cc34 | | InChi: | InChI=1S/C22H28ClN5O2/c1-13(29)26-15-6-4-5-14(7-15)21(30)27-20-8-16(18(23)11-24-20)17-10-25-28-12-22(2,3)9-19(17)28/h8,10-11,14-15H,4-7,9,12H2,1-3H3,(H,26,29)(H,24,27,30)/t14-,15+/m0/s1 | | Definition date: | 2020-05-22 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | (1~{S},3~{R})-3-acetamido-~{N}-[5-chloranyl-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide |
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 | | SYZ | | Name: | N-(2-(2,4-dioxothiazolidin-3-yl)ethyl)-3-methylbenzamide | | Formula: | C13 H14 N2 O3 S | | SMILES: | Cc1cccc(c1)C(=O)NCCN2C(=O)CSC2=O | | InChi: | InChI=1S/C13H14N2O3S/c1-9-3-2-4-10(7-9)12(17)14-5-6-15-11(16)8-19-13(15)18/h2-4,7H,5-6,8H2,1H3,(H,14,17) | | Synonyms: | ~{N}-[2-[2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]-3-methyl-benzamide | | Definition date: | 2020-12-08 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | ~{N}-[2-[2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]-3-methyl-benzamide |
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 | | SZ2 | | Name: | 5-cyclohexyl-3-(pyridin-4-yl)-1,2,4-oxadiazole | | Formula: | C13 H15 N3 O | | SMILES: | C1CCC(CC1)c2onc(n2)c3ccncc3 | | InChi: | InChI=1S/C13H15N3O/c1-2-4-11(5-3-1)13-15-12(16-17-13)10-6-8-14-9-7-10/h6-9,11H,1-5H2 | | Synonyms: | 5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole | | Definition date: | 2020-12-08 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | 5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole |
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 | | SZB | | Name: | succinimide | | Formula: | C4 H3 N O2 | | SMILES: | O=C1NC(=O)C=C1 | | InChi: | InChI=1S/C4H3NO2/c6-3-1-2-4(7)5-3/h1-2H,(H,5,6,7) | | Synonyms: | pyrrolidine-2,5-dione | | Definition date: | 2020-12-08 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | pyrrole-2,5-dione |
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 | | SZE | | Name: | 4-(3-fluoranylpyridin-2-yl)-1-methyl-piperazin-2-one | | Formula: | C10 H12 F N3 O | | SMILES: | CN1CCN(CC1=O)c2ncccc2F | | InChi: | InChI=1S/C10H12FN3O/c1-13-5-6-14(7-9(13)15)10-8(11)3-2-4-12-10/h2-4H,5-7H2,1H3 | | Synonyms: | 4-(3-fluoropyridin-2-yl)-1-methylpiperazin-2-one | | Definition date: | 2020-12-08 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | (4~{R})-4-(3-fluoranylpyridin-2-yl)-1-methyl-piperazin-2-one |
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