 | | Q2F | | Name: | ~{N}-[[4-[[7-ethyl-2,6-bis(oxidanylidene)purin-3-yl]methyl]cyclohexyl]methyl]-3-fluoranyl-4-(oxan-4-yloxy)benzenesulfonamide | | Formula: | C26 H34 F N5 O6 S | | SMILES: | CCn1cnc2N(C[CH]3CC[CH](CC3)CN[S](=O)(=O)c4ccc(OC5CCOCC5)c(F)c4)C(=O)NC(=O)c12 | | InChi: | InChI=1S/C26H34FN5O6S/c1-2-31-16-28-24-23(31)25(33)30-26(34)32(24)15-18-5-3-17(4-6-18)14-29-39(35,36)20-7-8-22(21(27)13-20)38-19-9-11-37-12-10-19/h7-8,13,16-19,29H,2-6,9-12,14-15H2,1H3,(H,30,33,34)/t17-,18- | | Definition date: | 2022-10-11 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | ~{N}-[[4-[[7-ethyl-2,6-bis(oxidanylidene)purin-3-yl]methyl]cyclohexyl]methyl]-3-fluoranyl-4-(oxan-4-yloxy)benzenesulfonamide |
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 | | VMD | | Name: | 4-[[1-[3-[[(2~{R})-2-oxidanyl-2-[(4~{S},5~{R})-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethyl]amino]propyl]-1,2,3-triazol-4-yl]methylamino]benzenesulfonamide | | Formula: | C20 H32 N6 O5 S | | SMILES: | C[CH]1OC(C)(C)O[CH]1[CH](O)CNCCCn2cc(CNc3ccc(cc3)[S](N)(=O)=O)nn2 | | InChi: | InChI=1S/C20H32N6O5S/c1-14-19(31-20(2,3)30-14)18(27)12-22-9-4-10-26-13-16(24-25-26)11-23-15-5-7-17(8-6-15)32(21,28)29/h5-8,13-14,18-19,22-23,27H,4,9-12H2,1-3H3,(H2,21,28,29)/t14-,18-,19-/m1/s1 | | Definition date: | 2023-03-20 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | 4-[[1-[3-[[(2~{R})-2-oxidanyl-2-[(4~{S},5~{R})-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethyl]amino]propyl]-1,2,3-triazol-4-yl]methylamino]benzenesulfonamide |
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 | | VNE | | Name: | (3-methoxyphenyl)-pyrrol-1-yl-methanone | | Formula: | C12 H11 N O2 | | SMILES: | COc1cccc(c1)C(=O)n2cccc2 | | InChi: | InChI=1S/C12H11NO2/c1-15-11-6-4-5-10(9-11)12(14)13-7-2-3-8-13/h2-9H,1H3 | | Definition date: | 2023-03-20 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | (3-methoxyphenyl)-pyrrol-1-yl-methanone |
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 | | WD9 | | Name: | 2-[(3S)-piperidin-3-yl]oxy-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine | | Formula: | C23 H28 N8 O | | SMILES: | CC(C)c1cnn2c(NCc3ccccc3n4cccn4)nc(O[CH]5CCCNC5)nc12 | | InChi: | InChI=1S/C23H28N8O/c1-16(2)19-15-27-31-21(19)28-23(32-18-8-5-10-24-14-18)29-22(31)25-13-17-7-3-4-9-20(17)30-12-6-11-26-30/h3-4,6-7,9,11-12,15-16,18,24H,5,8,10,13-14H2,1-2H3,(H,25,28,29)/t18-/m0/s1 | | Definition date: | 2023-05-12 | | Last modified: | 2024-03-15 | | Release date: | 2024-03-20 | | Identifier: | 2-[(3~{S})-piperidin-3-yl]oxy-8-propan-2-yl-~{N}-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine |
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 | | V7R | | Name: | 4-azanyl-~{N}-(4-oxidanylcyclohexyl)benzenesulfonamide | | Formula: | C12 H18 N2 O3 S | | SMILES: | Nc1ccc(cc1)[S](=O)(=O)N[CH]2CC[CH](O)CC2 | | InChi: | InChI=1S/C12H18N2O3S/c13-9-1-7-12(8-2-9)18(16,17)14-10-3-5-11(15)6-4-10/h1-2,7-8,10-11,14-15H,3-6,13H2/t10-,11- | | Definition date: | 2023-02-24 | | Last modified: | 2024-03-08 | | Release date: | 2024-03-13 | | Identifier: | 4-azanyl-~{N}-(4-oxidanylcyclohexyl)benzenesulfonamide |
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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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 | | 7CQ | | Name: | 5-bromo-2-methoxy-N-(3-(2-oxopyrrolidin-1-yl)phenyl)benzenesulfonamide | | Formula: | C17 H17 Br N2 O4 S | | SMILES: | Brc1cc(c(OC)cc1)S(=O)(=O)Nc1cccc(c1)N1CCCC1=O | | InChi: | InChI=1S/C17H17BrN2O4S/c1-24-15-8-7-12(18)10-16(15)25(22,23)19-13-4-2-5-14(11-13)20-9-3-6-17(20)21/h2,4-5,7-8,10-11,19H,3,6,9H2,1H3 | | Definition date: | 2016-10-04 | | Last modified: | 2024-02-19 | | Release date: | 2017-08-09 | | Identifier: | 5-bromo-2-methoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide |
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 | | U7M | | Name: | 1-butyl-3-(4-sulfamoylphenyl)urea | | Formula: | C11 H17 N3 O3 S | | SMILES: | CCCCNC(=O)Nc1ccc(cc1)[S](N)(=O)=O | | InChi: | InChI=1S/C11H17N3O3S/c1-2-3-8-13-11(15)14-9-4-6-10(7-5-9)18(12,16)17/h4-7H,2-3,8H2,1H3,(H2,12,16,17)(H2,13,14,15) | | Synonyms: | 4-(3-butylureido)benzenesulfonamide | | Definition date: | 2023-01-27 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | 1-butyl-3-(4-sulfamoylphenyl)urea |
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 | | YPD | | Name: | (2Z)-N-[4-(4-chlorobenzene-1-sulfonyl)phenyl]-2-cyano-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enamide | | Formula: | C20 H14 Cl N3 O5 S | | SMILES: | Cc1oncc1C(/O)=C(C#N)C(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1 | | InChi: | InChI=1S/C20H14ClN3O5S/c1-12-18(11-23-29-12)19(25)17(10-22)20(26)24-14-4-8-16(9-5-14)30(27,28)15-6-2-13(21)3-7-15/h2-9,11,25H,1H3,(H,24,26)/b19-17- | | Definition date: | 2023-02-15 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | (2Z)-N-[4-(4-chlorobenzene-1-sulfonyl)phenyl]-2-cyano-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enamide |
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 | | UE7 | | Name: | 1-ethyl-3-(4-sulfamoylphenyl)urea | | Formula: | C9 H13 N3 O3 S | | SMILES: | CCNC(=O)Nc1ccc(cc1)[S](N)(=O)=O | | InChi: | InChI=1S/C9H13N3O3S/c1-2-11-9(13)12-7-3-5-8(6-4-7)16(10,14)15/h3-6H,2H2,1H3,(H2,10,14,15)(H2,11,12,13) | | Synonyms: | 4-(3-ethylureido)benzenesulfonamide | | Definition date: | 2023-02-02 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | 1-ethyl-3-(4-sulfamoylphenyl)urea |
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 | | WXW | | Name: | (13S,16R,19S)-16-benzyl-43-ethoxy-N-methyl-7,11,14,17-tetraoxo-13-phenyl-5-oxa-2,8,12,15,18-pentaaza-1(1,4),4(1,2)-dibenzena-9(1,4)-cyclohexanacycloicosaphane-19-carboxamide | | Formula: | C46 H54 N6 O7 | | SMILES: | CCOc1cccc2CNc3ccc(C[CH](NC(=O)[CH](Cc4ccccc4)NC(=O)[CH](NC(=O)CC5CCC(CC5)NC(=O)COc12)c6ccccc6)C(=O)NC)cc3 | | InChi: | InChI=1S/C46H54N6O7/c1-3-58-39-16-10-15-34-28-48-35-21-17-31(18-22-35)26-37(44(55)47-2)50-45(56)38(25-30-11-6-4-7-12-30)51-46(57)42(33-13-8-5-9-14-33)52-40(53)27-32-19-23-36(24-20-32)49-41(54)29-59-43(34)39/h4-18,21-22,32,36-38,42,48H,3,19-20,23-29H2,1-2H3,(H,47,55)(H,49,54)(H,50,56)(H,51,57)(H,52,53)/t32-,36-,37-,38+,42+/m0/s1 | | Synonyms: | 4-O-BETA-METHYL-D-GLUCOPYRANOSYL CELLOBIONOLACTAM OXIME | | Definition date: | 2023-10-17 | | Last modified: | 2024-02-09 | | Release date: | 2024-02-14 |
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 | | XH9 | | Name: | 2-[[4-(5-chloranylpyridin-3-yl)carbonyl-1,4-diazepan-1-yl]methyl]benzenecarbonitrile | | Formula: | C19 H19 Cl N4 O | | SMILES: | Clc1cncc(c1)C(=O)N2CCCN(CC2)Cc3ccccc3C#N | | InChi: | InChI=1S/C19H19ClN4O/c20-18-10-17(12-22-13-18)19(25)24-7-3-6-23(8-9-24)14-16-5-2-1-4-15(16)11-21/h1-2,4-5,10,12-13H,3,6-9,14H2 | | Definition date: | 2023-11-02 | | Last modified: | 2024-02-02 | | Release date: | 2024-02-07 | | Identifier: | 2-[[4-(5-chloranylpyridin-3-yl)carbonyl-1,4-diazepan-1-yl]methyl]benzenecarbonitrile |
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 | | ZTE | | Name: | N~1~-[(3M)-3-(4-aminothieno[3,2-d]pyrimidin-6-yl)benzene-1-sulfonyl]-L-aspartamide | | Formula: | C16 H16 N6 O4 S2 | | SMILES: | NC(=O)CC(N)C(=O)NS(=O)(=O)c1cccc(c1)c1cc2ncnc(N)c2s1 | | InChi: | InChI=1S/C16H16N6O4S2/c17-10(5-13(18)23)16(24)22-28(25,26)9-3-1-2-8(4-9)12-6-11-14(27-12)15(19)21-7-20-11/h1-4,6-7,10H,5,17H2,(H2,18,23)(H,22,24)(H2,19,20,21)/t10-/m0/s1 | | Definition date: | 2023-07-04 | | Last modified: | 2024-02-02 | | Release date: | 2024-02-07 | | Identifier: | N~1~-[(3M)-3-(4-aminothieno[3,2-d]pyrimidin-6-yl)benzene-1-sulfonyl]-L-aspartamide |
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 | | VWI | | Name: | 4-nitrobenzenesulfonic acid | | Formula: | C6 H5 N O5 S | | SMILES: | O[S](=O)(=O)c1ccc(cc1)[N](=O)=O | | InChi: | InChI=1S/C6H5NO5S/c8-7(9)5-1-3-6(4-2-5)13(10,11)12/h1-4H,(H,10,11,12) | | Definition date: | 2023-04-12 | | Last modified: | 2024-01-19 | | Release date: | 2024-01-24 | | Identifier: | 4-nitrobenzenesulfonic acid |
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 | | VWT | | Name: | 4-cyanobenzenesulfonic acid | | Formula: | C7 H5 N O3 S | | SMILES: | O[S](=O)(=O)c1ccc(cc1)C#N | | InChi: | InChI=1S/C7H5NO3S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,(H,9,10,11) | | Definition date: | 2023-04-12 | | Last modified: | 2024-01-19 | | Release date: | 2024-01-24 | | Identifier: | 4-cyanobenzenesulfonic acid |
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 | | VWZ | | Name: | 4-phenylbenzenesulfonic acid | | Formula: | C12 H10 O3 S | | SMILES: | O[S](=O)(=O)c1ccc(cc1)c2ccccc2 | | InChi: | InChI=1S/C12H10O3S/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,13,14,15) | | Definition date: | 2023-04-12 | | Last modified: | 2024-01-19 | | Release date: | 2024-01-24 | | Identifier: | 4-phenylbenzenesulfonic acid |
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 | | VXC | | Name: | 4-bromanylbenzenesulfonic acid | | Formula: | C6 H5 Br O3 S | | SMILES: | O[S](=O)(=O)c1ccc(Br)cc1 | | InChi: | InChI=1S/C6H5BrO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H,8,9,10) | | Definition date: | 2023-04-12 | | Last modified: | 2024-01-19 | | Release date: | 2024-01-24 | | Identifier: | 4-bromanylbenzenesulfonic acid |
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 | | VXN | | Name: | 4-chloranylbenzenesulfonic acid | | Formula: | C6 H5 Cl O3 S | | SMILES: | O[S](=O)(=O)c1ccc(Cl)cc1 | | InChi: | InChI=1S/C6H5ClO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H,8,9,10) | | Definition date: | 2023-04-12 | | Last modified: | 2024-01-19 | | Release date: | 2024-01-24 | | Identifier: | 4-chloranylbenzenesulfonic acid |
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 | | A1ABF | | Name: | 4-[(pyridin-2-yl)oxy]benzonitrile | | Formula: | C12 H8 N2 O | | SMILES: | N#Cc1ccc(cc1)Oc1ccccn1 | | InChi: | InChI=1S/C12H8N2O/c13-9-10-4-6-11(7-5-10)15-12-3-1-2-8-14-12/h1-8H | | Definition date: | 2024-01-04 | | Last modified: | 2024-01-19 | | Release date: | 2024-01-24 | | Identifier: | 4-[(pyridin-2-yl)oxy]benzonitrile |
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 | | WCH | | Name: | (2S,3S,4R,5R)-5-(6-amino-2-((E)-phenyldiazenyl)-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide | | Formula: | C18 H20 N8 O4 | | SMILES: | CCNC(=O)[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)nc(N=Nc4ccccc4)nc23 | | InChi: | InChI=1S/C18H20N8O4/c1-2-20-16(29)13-11(27)12(28)17(30-13)26-8-21-10-14(19)22-18(23-15(10)26)25-24-9-6-4-3-5-7-9/h3-8,11-13,17,27-28H,2H2,1H3,(H,20,29)(H2,19,22,23)/b25-24+/t11-,12+,13-,17+/m0/s1 | | Definition date: | 2023-09-26 | | Last modified: | 2024-01-12 | | Release date: | 2024-01-17 | | Identifier: | (2~{S},3~{S},4~{R},5~{R})-5-[6-azanyl-2-[(~{E})-phenyldiazenyl]purin-9-yl]-~{N}-ethyl-3,4-bis(oxidanyl)oxolane-2-carboxamide |
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 | | ZUD | | Name: | Udenafil | | Formula: | C25 H36 N6 O4 S | | SMILES: | CN1CCCC1CCNS(=O)(=O)c1cc(C2=NC(=O)c3c(N2)c(nn3C)CCC)c(OCCC)cc1 | | InChi: | InChI=1S/C25H36N6O4S/c1-5-8-20-22-23(31(4)29-20)25(32)28-24(27-22)19-16-18(10-11-21(19)35-15-6-2)36(33,34)26-13-12-17-9-7-14-30(17)3/h10-11,16-17,26H,5-9,12-15H2,1-4H3,(H,27,28,32)/t17-/m1/s1 | | Synonyms: | (3P)-3-(1-methyl-7-oxo-3-propyl-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-{2-[(2R)-1-methylpyrrolidin-2-yl]ethyl}-4-propoxybenzene-1-sulfonamide | | Definition date: | 2023-10-06 | | Last modified: | 2024-01-12 | | Release date: | 2024-01-17 | | Identifier: | (3P)-3-(1-methyl-7-oxo-3-propyl-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-{2-[(2R)-1-methylpyrrolidin-2-yl]ethyl}-4-propoxybenzene-1-sulfonamide |
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 | | O5L | | Name: | N1-[[4-(4-aminophenyl)sulfanyl-3-(trifluoromethyl)phenyl]methoxy]benzene-1,4-dicarboxamide | | Formula: | C22 H18 F3 N3 O3 S | | SMILES: | NC(=O)c1ccc(cc1)C(=O)NOCc2ccc(Sc3ccc(N)cc3)c(c2)C(F)(F)F | | InChi: | InChI=1S/C22H18F3N3O3S/c23-22(24,25)18-11-13(1-10-19(18)32-17-8-6-16(26)7-9-17)12-31-28-21(30)15-4-2-14(3-5-15)20(27)29/h1-11H,12,26H2,(H2,27,29)(H,28,30) | | Definition date: | 2023-01-24 | | Last modified: | 2024-01-12 | | Release date: | 2024-01-17 | | Identifier: | ~{N}1-[[4-(4-aminophenyl)sulfanyl-3-(trifluoromethyl)phenyl]methoxy]benzene-1,4-dicarboxamide |
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 | | U4I | | Name: | N-(3-acetamidophenyl)-N~2~-[3-(difluoromethyl)-5-methylbenzene-1-sulfonyl]-N~2~-methylglycinamide | | Formula: | C19 H21 F2 N3 O4 S | | SMILES: | O=S(=O)(N(C)CC(=O)Nc1cccc(NC(C)=O)c1)c1cc(C)cc(c1)C(F)F | | InChi: | InChI=1S/C19H21F2N3O4S/c1-12-7-14(19(20)21)9-17(8-12)29(27,28)24(3)11-18(26)23-16-6-4-5-15(10-16)22-13(2)25/h4-10,19H,11H2,1-3H3,(H,22,25)(H,23,26) | | Definition date: | 2023-08-30 | | Last modified: | 2023-12-29 | | Release date: | 2024-01-03 | | Identifier: | N-(3-acetamidophenyl)-N~2~-[3-(difluoromethyl)-5-methylbenzene-1-sulfonyl]-N~2~-methylglycinamide |
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 | | SVO | | Name: | 4-(dimethylamino)-~{N}-nitro-benzenesulfonamide | | Formula: | C8 H11 N3 O4 S | | SMILES: | CN(C)c1ccc(cc1)[S](=O)(=O)N[N+]([O-])=O | | InChi: | InChI=1S/C8H11N3O4S/c1-10(2)7-3-5-8(6-4-7)16(14,15)9-11(12)13/h3-6,9H,1-2H3 | | Definition date: | 2022-12-19 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | 4-(dimethylamino)-~{N}-nitro-benzenesulfonamide |
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 | | K3L | | Name: | 2-[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]-N-{(1R)-2-(3,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}acetamide | | Formula: | C35 H32 F2 N6 O6 S | | SMILES: | O=S(=O)(c1ccc(N)cc1)N1CC(=O)N(CC(=O)NC(Cc2cc(F)cc(F)c2)C2=Nc3ccccc3C(=O)N2c2ccc(OC)cc2)CC1 | | InChi: | InChI=1S/C35H32F2N6O6S/c1-49-27-10-8-26(9-11-27)43-34(40-30-5-3-2-4-29(30)35(43)46)31(18-22-16-23(36)19-24(37)17-22)39-32(44)20-41-14-15-42(21-33(41)45)50(47,48)28-12-6-25(38)7-13-28/h2-13,16-17,19,31H,14-15,18,20-21,38H2,1H3,(H,39,44)/t31-/m1/s1 | | Definition date: | 2023-08-10 | | Last modified: | 2023-12-15 | | Release date: | 2023-12-20 | | Identifier: | 2-[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]-N-{(1R)-2-(3,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}acetamide |
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