5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[3-[4-[3-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)anilino]-3-oxopropyl]triazol-1-yl]propyl]pentanamide;5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[[1-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)phenyl]triazol-4-yl]methyl]pentanamide;5-chloro-N-[2-[4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide;1-(4-chlorophenyl)sulfonyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-yl)urea;1-(6-ethylquinolin-8-yl)-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-methylphenyl)sulfonylurea;1-naphthalen-2-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-quinolin-5-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-quinolin-8-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-yl)-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea

C231H224Cl2F15N47O39S12 — CID 164997676

IUPAC5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[3-[4-[3-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)anilino]-3-oxopropyl]triazol-1-yl]propyl]pentanamide;5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[[1-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)phenyl]triazol-4-yl]methyl]pentanamide;5-chloro-N-[2-[4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide;1-(4-chlorophenyl)sulfonyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-yl)urea;1-(6-ethylquinolin-8-yl)-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-methylphenyl)sulfonylurea;1-naphthalen-2-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-quinolin-5-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-quinolin-8-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-yl)-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea
SMILESCCc1cc(NC(=O)NS(=O)(=O)c2cccc(C3(C(F)(F)F)N=N3)c2)c2ncccc2c1.COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1.Cc1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1.O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCCn1cc(CCC(=O)Nc2cccc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)c2)nn1.O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCc1cn(-c2cccc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)c2)nn1.O=C(Nc1c2c(cc3c1OCC3)CCC2)NS(=O)(=O)c1ccc(Cl)cc1.O=C(Nc1c2c(cc3c1OCC3)CCC2)NS(=O)(=O)c1cccc(C2(C(F)(F)F)N=N2)c1.O=C(Nc1ccc2ccccc2c1)NS(=O)(=O)c1cccc(C2(C(F)(F)F)N=N2)c1.O=C(Nc1cccc2cccnc12)NS(=O)(=O)c1cccc(C2(C(F)(F)F)N=N2)c1.O=C(Nc1cccc2ncccc12)NS(=O)(=O)c1cccc(C2(C(F)(F)F)N=N2)c1
InChIInChI=1S/C37H47N9O6S2.C32H38N8O5S2.C29H30ClN3O5S.C20H16F3N5O3S.C20H17F3N4O4S.C20H22N2O3S.C19H13F3N4O3S.C18H17ClN2O4S.2C18H12F3N5O3S/c47-32(14-2-1-13-31-35-30(22-53-31)40-36(49)42-35)38-17-6-18-46-21-26(43-45-46)15-16-33(48)39-25-9-5-10-27(20-25)54(51,52)44-37(50)41-34-28-11-3-7-23(28)19-24-8-4-12-29(24)34;41-28(13-2-1-12-27-30-26(18-46-27)34-31(42)36-30)33-16-21-17-40(39-37-21)22-8-5-9-23(15-22)47(44,45)38-32(43)35-29-24-10-3-6-19(24)14-20-7-4-11-25(20)29;1-38-26-13-10-21(30)17-25(26)28(34)31-15-14-18-8-11-22(12-9-18)39(36,37)33-29(35)32-27-23-6-2-4-19(23)16-20-5-3-7-24(20)27;1-2-12-9-13-5-4-8-24-17(13)16(10-12)25-18(29)26-32(30,31)15-7-3-6-14(11-15)19(27-28-19)20(21,22)23;21-20(22,23)19(26-27-19)13-4-2-5-14(10-13)32(29,30)25-18(28)24-16-15-6-1-3-11(15)9-12-7-8-31-17(12)16;1-13-8-10-16(11-9-13)26(24,25)22-20(23)21-19-17-6-2-4-14(17)12-15-5-3-7-18(15)19;20-19(21,22)18(25-26-18)14-6-3-7-16(11-14)30(28,29)24-17(27)23-15-9-8-12-4-1-2-5-13(12)10-15;19-13-4-6-14(7-5-13)26(23,24)21-18(22)20-16-15-3-1-2-11(15)10-12-8-9-25-17(12)16;19-18(20,21)17(25-26-17)12-6-2-7-13(10-12)30(28,29)24-16(27)23-14-8-1-4-11-5-3-9-22-15(11)14;19-18(20,21)17(25-26-17)11-4-1-5-12(10-11)30(28,29)24-16(27)23-15-8-2-7-14-13(15)6-3-9-22-14/h5,9-10,19-21,30-31,35H,1-4,6-8,11-18,22H2,(H,38,47)(H,39,48)(H2,40,42,49)(H2,41,44,50);5,8-9,14-15,17,26-27,30H,1-4,6-7,10-13,16,18H2,(H,33,41)(H2,34,36,42)(H2,35,38,43);8-13,16-17H,2-7,14-15H2,1H3,(H,31,34)(H2,32,33,35);3-11H,2H2,1H3,(H2,25,26,29);2,4-5,9-10H,1,3,6-8H2,(H2,24,25,28);8-12H,2-7H2,1H3,(H2,21,22,23);1-11H,(H2,23,24,27);4-7,10H,1-3,8-9H2,(H2,20,21,22);2*1-10H,(H2,23,24,27)/t30-,31-,35-;26-,27-,30-;;;;;;;;/m00......../s1
InChIKeyHTZDHFZRYINPAH-NLUMTNBXSA-N
MW5023.30 g/mol
LogP38.91
Rot. Bonds62

About 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[3-[4-[3-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)anilino]-3-oxopropyl]triazol-1-yl]propyl]pentanamide;5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[[1-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)phenyl]triazol-4-yl]methyl]pentanamide;5-chloro-N-[2-[4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide;1-(4-chlorophenyl)sulfonyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-yl)urea;1-(6-ethylquinolin-8-yl)-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-methylphenyl)sulfonylurea;1-naphthalen-2-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-quinolin-5-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-quinolin-8-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-yl)-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea

5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[3-[4-[3-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)anilino]-3-oxopropyl]triazol-1-yl]propyl]pentanamide;5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[[1-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)phenyl]triazol-4-yl]methyl]pentanamide;5-chloro-N-[2-[4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide;1-(4-chlorophenyl)sulfonyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-yl)urea;1-(6-ethylquinolin-8-yl)-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-methylphenyl)sulfonylurea;1-naphthalen-2-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-quinolin-5-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-quinolin-8-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-yl)-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea (PubChem CID 164997676) has the molecular formula C231H224Cl2F15N47O39S12 and a molecular weight of 5023.30 g/mol. Its IUPAC name is 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[3-[4-[3-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)anilino]-3-oxopropyl]triazol-1-yl]propyl]pentanamide;5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[[1-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)phenyl]triazol-4-yl]methyl]pentanamide;5-chloro-N-[2-[4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide;1-(4-chlorophenyl)sulfonyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-yl)urea;1-(6-ethylquinolin-8-yl)-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-methylphenyl)sulfonylurea;1-naphthalen-2-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-quinolin-5-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-quinolin-8-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-yl)-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea.

Molecular Properties

Compound Name5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[3-[4-[3-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)anilino]-3-oxopropyl]triazol-1-yl]propyl]pentanamide;5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[[1-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)phenyl]triazol-4-yl]methyl]pentanamide;5-chloro-N-[2-[4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide;1-(4-chlorophenyl)sulfonyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-yl)urea;1-(6-ethylquinolin-8-yl)-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-methylphenyl)sulfonylurea;1-naphthalen-2-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-quinolin-5-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-quinolin-8-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-yl)-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea
PubChem CID164997676
Molecular FormulaC231H224Cl2F15N47O39S12
Molecular Weight5023.30 g/mol
Exact Mass5018.28
IUPAC Name5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[3-[4-[3-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)anilino]-3-oxopropyl]triazol-1-yl]propyl]pentanamide;5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[[1-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)phenyl]triazol-4-yl]methyl]pentanamide;5-chloro-N-[2-[4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide;1-(4-chlorophenyl)sulfonyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-yl)urea;1-(6-ethylquinolin-8-yl)-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-methylphenyl)sulfonylurea;1-naphthalen-2-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-quinolin-5-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-quinolin-8-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-yl)-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea
SMILESCCc1cc(NC(=O)NS(=O)(=O)c2cccc(C3(C(F)(F)F)N=N3)c2)c2ncccc2c1.COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1.Cc1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1.O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCCn1cc(CCC(=O)Nc2cccc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)c2)nn1.O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCc1cn(-c2cccc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)c2)nn1.O=C(Nc1c2c(cc3c1OCC3)CCC2)NS(=O)(=O)c1ccc(Cl)cc1.O=C(Nc1c2c(cc3c1OCC3)CCC2)NS(=O)(=O)c1cccc(C2(C(F)(F)F)N=N2)c1.O=C(Nc1ccc2ccccc2c1)NS(=O)(=O)c1cccc(C2(C(F)(F)F)N=N2)c1.O=C(Nc1cccc2cccnc12)NS(=O)(=O)c1cccc(C2(C(F)(F)F)N=N2)c1.O=C(Nc1cccc2ncccc12)NS(=O)(=O)c1cccc(C2(C(F)(F)F)N=N2)c1
InChIInChI=1S/C37H47N9O6S2.C32H38N8O5S2.C29H30ClN3O5S.C20H16F3N5O3S.C20H17F3N4O4S.C20H22N2O3S.C19H13F3N4O3S.C18H17ClN2O4S.2C18H12F3N5O3S/c47-32(14-2-1-13-31-35-30(22-53-31)40-36(49)42-35)38-17-6-18-46-21-26(43-45-46)15-16-33(48)39-25-9-5-10-27(20-25)54(51,52)44-37(50)41-34-28-11-3-7-23(28)19-24-8-4-12-29(24)34;41-28(13-2-1-12-27-30-26(18-46-27)34-31(42)36-30)33-16-21-17-40(39-37-21)22-8-5-9-23(15-22)47(44,45)38-32(43)35-29-24-10-3-6-19(24)14-20-7-4-11-25(20)29;1-38-26-13-10-21(30)17-25(26)28(34)31-15-14-18-8-11-22(12-9-18)39(36,37)33-29(35)32-27-23-6-2-4-19(23)16-20-5-3-7-24(20)27;1-2-12-9-13-5-4-8-24-17(13)16(10-12)25-18(29)26-32(30,31)15-7-3-6-14(11-15)19(27-28-19)20(21,22)23;21-20(22,23)19(26-27-19)13-4-2-5-14(10-13)32(29,30)25-18(28)24-16-15-6-1-3-11(15)9-12-7-8-31-17(12)16;1-13-8-10-16(11-9-13)26(24,25)22-20(23)21-19-17-6-2-4-14(17)12-15-5-3-7-18(15)19;20-19(21,22)18(25-26-18)14-6-3-7-16(11-14)30(28,29)24-17(27)23-15-9-8-12-4-1-2-5-13(12)10-15;19-13-4-6-14(7-5-13)26(23,24)21-18(22)20-16-15-3-1-2-11(15)10-12-8-9-25-17(12)16;19-18(20,21)17(25-26-17)12-6-2-7-13(10-12)30(28,29)24-16(27)23-14-8-1-4-11-5-3-9-22-15(11)14;19-18(20,21)17(25-26-17)11-4-1-5-12(10-11)30(28,29)24-16(27)23-15-8-2-7-14-13(15)6-3-9-22-14/h5,9-10,19-21,30-31,35H,1-4,6-8,11-18,22H2,(H,38,47)(H,39,48)(H2,40,42,49)(H2,41,44,50);5,8-9,14-15,17,26-27,30H,1-4,6-7,10-13,16,18H2,(H,33,41)(H2,34,36,42)(H2,35,38,43);8-13,16-17H,2-7,14-15H2,1H3,(H,31,34)(H2,32,33,35);3-11H,2H2,1H3,(H2,25,26,29);2,4-5,9-10H,1,3,6-8H2,(H2,24,25,28);8-12H,2-7H2,1H3,(H2,21,22,23);1-11H,(H2,23,24,27);4-7,10H,1-3,8-9H2,(H2,20,21,22);2*1-10H,(H2,23,24,27)/t30-,31-,35-;26-,27-,30-;;;;;;;;/m00......../s1
InChIKeyHTZDHFZRYINPAH-NLUMTNBXSA-N
XLogP38.91
TPSA1202.74 Ų
H-Bond Donors28
H-Bond Acceptors60
Rotatable Bonds62
Heavy Atoms346
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005023.30
LogP ≤ 538.91
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1060

Analyze 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[3-[4-[3-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)anilino]-3-oxopropyl]triazol-1-yl]propyl]pentanamide;5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[[1-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)phenyl]triazol-4-yl]methyl]pentanamide;5-chloro-N-[2-[4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide;1-(4-chlorophenyl)sulfonyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-yl)urea;1-(6-ethylquinolin-8-yl)-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-methylphenyl)sulfonylurea;1-naphthalen-2-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-quinolin-5-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-quinolin-8-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-yl)-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea with MolForge

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Related Compounds

5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[[1-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)phenyl]triazol-4-yl]methyl]pentanamide
CID 122480629
4-[(3aS,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[3-[4-[3-[3-[S-amino-N-[[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl]sulfonimidoyl]anilino]-3-oxopropyl]triazol-1-yl]propyl]butanamide
CID 146611252
N-[5-[5-[(3aS,4R,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]pentyl]-4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxamide
CID 58770380
N-[4-[1-[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxoethyl]triazol-4-yl]butyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide
CID 59401048
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[3-[3-(trifluoromethyl)diazirin-3-yl]phenoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 102180622
N-[2-[4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)phenyl]ethyl]-2-(3-methoxyanilino)acetamide
CID 154966711
N-[1-[2-[4-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethyl]triazol-1-yl]ethyl]-2-oxo-3-[2-[4-[2-[5-[(4S)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethyl]triazol-1-yl]ethyl]benzimidazol-5-yl]-1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-[3-(dimethylsulfamoyl)phenyl]-2-methylindole-5-carboxamide
CID 166705479
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]-4-[3-(trifluoromethyl)diazirin-3-yl]benzoate
CID 102093334
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[[4-[4-(oxan-2-yloxymethyl)triazol-1-yl]phenyl]methyl]pentanamide
CID 146315798
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[4-[[4-[4-[3-[[2-[2-methoxy-5-[(5,6,7-trimethoxy-4-oxo-2,3-dihydrochromen-3-yl)methyl]phenoxy]acetyl]amino]propoxy]benzoyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 155523292
N-[1-[2-[5-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethyl]-1,2-dihydrotriazol-3-yl]ethyl]-2-oxo-3-[2-[4-[2-[5-[(4S)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethyl]triazol-1-yl]ethyl]benzimidazol-5-yl]-1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-[3-(dimethylsulfamoyl)phenyl]-2-methylindole-5-carboxamide
CID 166705502
5-[(3aS,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[3-[4-[[8-[[1-(2-ethyl-1,3-dioxobenzo[de]isoquinolin-6-yl)triazol-4-yl]methyl]-1,4,8,11-tetrazacyclotetradec-1-yl]methyl]triazol-1-yl]propyl]pentanamide
CID 144722349

Frequently Asked Questions

What is the IUPAC name of 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[3-[4-[3-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)anilino]-3-oxopropyl]triazol-1-yl]propyl]pentanamide;5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[[1-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)phenyl]triazol-4-yl]methyl]pentanamide;5-chloro-N-[2-[4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide;1-(4-chlorophenyl)sulfonyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-yl)urea;1-(6-ethylquinolin-8-yl)-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-methylphenyl)sulfonylurea;1-naphthalen-2-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-quinolin-5-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-quinolin-8-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-yl)-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea?
The IUPAC name of 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[3-[4-[3-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)anilino]-3-oxopropyl]triazol-1-yl]propyl]pentanamide;5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[[1-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)phenyl]triazol-4-yl]methyl]pentanamide;5-chloro-N-[2-[4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide;1-(4-chlorophenyl)sulfonyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-yl)urea;1-(6-ethylquinolin-8-yl)-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-methylphenyl)sulfonylurea;1-naphthalen-2-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-quinolin-5-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-quinolin-8-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-yl)-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea (CID 164997676) is 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[3-[4-[3-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)anilino]-3-oxopropyl]triazol-1-yl]propyl]pentanamide;5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[[1-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)phenyl]triazol-4-yl]methyl]pentanamide;5-chloro-N-[2-[4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide;1-(4-chlorophenyl)sulfonyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-yl)urea;1-(6-ethylquinolin-8-yl)-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-methylphenyl)sulfonylurea;1-naphthalen-2-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-quinolin-5-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-quinolin-8-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-yl)-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea.
What is the SMILES notation for 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[3-[4-[3-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)anilino]-3-oxopropyl]triazol-1-yl]propyl]pentanamide;5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[[1-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)phenyl]triazol-4-yl]methyl]pentanamide;5-chloro-N-[2-[4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide;1-(4-chlorophenyl)sulfonyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-yl)urea;1-(6-ethylquinolin-8-yl)-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-methylphenyl)sulfonylurea;1-naphthalen-2-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-quinolin-5-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-quinolin-8-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-yl)-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea?
The canonical SMILES for 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[3-[4-[3-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)anilino]-3-oxopropyl]triazol-1-yl]propyl]pentanamide;5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[[1-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)phenyl]triazol-4-yl]methyl]pentanamide;5-chloro-N-[2-[4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide;1-(4-chlorophenyl)sulfonyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-yl)urea;1-(6-ethylquinolin-8-yl)-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-methylphenyl)sulfonylurea;1-naphthalen-2-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-quinolin-5-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-quinolin-8-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-yl)-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea is CCc1cc(NC(=O)NS(=O)(=O)c2cccc(C3(C(F)(F)F)N=N3)c2)c2ncccc2c1.COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1.Cc1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1.O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCCn1cc(CCC(=O)Nc2cccc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)c2)nn1.O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCc1cn(-c2cccc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)c2)nn1.O=C(Nc1c2c(cc3c1OCC3)CCC2)NS(=O)(=O)c1ccc(Cl)cc1.O=C(Nc1c2c(cc3c1OCC3)CCC2)NS(=O)(=O)c1cccc(C2(C(F)(F)F)N=N2)c1.O=C(Nc1ccc2ccccc2c1)NS(=O)(=O)c1cccc(C2(C(F)(F)F)N=N2)c1.O=C(Nc1cccc2cccnc12)NS(=O)(=O)c1cccc(C2(C(F)(F)F)N=N2)c1.O=C(Nc1cccc2ncccc12)NS(=O)(=O)c1cccc(C2(C(F)(F)F)N=N2)c1.
What is the InChIKey of 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[3-[4-[3-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)anilino]-3-oxopropyl]triazol-1-yl]propyl]pentanamide;5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[[1-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)phenyl]triazol-4-yl]methyl]pentanamide;5-chloro-N-[2-[4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide;1-(4-chlorophenyl)sulfonyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-yl)urea;1-(6-ethylquinolin-8-yl)-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-methylphenyl)sulfonylurea;1-naphthalen-2-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-quinolin-5-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-quinolin-8-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-yl)-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea?
The InChIKey is HTZDHFZRYINPAH-NLUMTNBXSA-N. The full InChI is InChI=1S/C37H47N9O6S2.C32H38N8O5S2.C29H30ClN3O5S.C20H16F3N5O3S.C20H17F3N4O4S.C20H22N2O3S.C19H13F3N4O3S.C18H17ClN2O4S.2C18H12F3N5O3S/c47-32(14-2-1-13-31-35-30(22-53-31)40-36(49)42-35)38-17-6-18-46-21-26(43-45-46)15-16-33(48)39-25-9-5-10-27(20-25)54(51,52)44-37(50)41-34-28-11-3-7-23(28)19-24-8-4-12-29(24)34;41-28(13-2-1-12-27-30-26(18-46-27)34-31(42)36-30)33-16-21-17-40(39-37-21)22-8-5-9-23(15-22)47(44,45)38-32(43)35-29-24-10-3-6-19(24)14-20-7-4-11-25(20)29;1-38-26-13-10-21(30)17-25(26)28(34)31-15-14-18-8-11-22(12-9-18)39(36,37)33-29(35)32-27-23-6-2-4-19(23)16-20-5-3-7-24(20)27;1-2-12-9-13-5-4-8-24-17(13)16(10-12)25-18(29)26-32(30,31)15-7-3-6-14(11-15)19(27-28-19)20(21,22)23;21-20(22,23)19(26-27-19)13-4-2-5-14(10-13)32(29,30)25-18(28)24-16-15-6-1-3-11(15)9-12-7-8-31-17(12)16;1-13-8-10-16(11-9-13)26(24,25)22-20(23)21-19-17-6-2-4-14(17)12-15-5-3-7-18(15)19;20-19(21,22)18(25-26-18)14-6-3-7-16(11-14)30(28,29)24-17(27)23-15-9-8-12-4-1-2-5-13(12)10-15;19-13-4-6-14(7-5-13)26(23,24)21-18(22)20-16-15-3-1-2-11(15)10-12-8-9-25-17(12)16;19-18(20,21)17(25-26-17)12-6-2-7-13(10-12)30(28,29)24-16(27)23-14-8-1-4-11-5-3-9-22-15(11)14;19-18(20,21)17(25-26-17)11-4-1-5-12(10-11)30(28,29)24-16(27)23-15-8-2-7-14-13(15)6-3-9-22-14/h5,9-10,19-21,30-31,35H,1-4,6-8,11-18,22H2,(H,38,47)(H,39,48)(H2,40,42,49)(H2,41,44,50);5,8-9,14-15,17,26-27,30H,1-4,6-7,10-13,16,18H2,(H,33,41)(H2,34,36,42)(H2,35,38,43);8-13,16-17H,2-7,14-15H2,1H3,(H,31,34)(H2,32,33,35);3-11H,2H2,1H3,(H2,25,26,29);2,4-5,9-10H,1,3,6-8H2,(H2,24,25,28);8-12H,2-7H2,1H3,(H2,21,22,23);1-11H,(H2,23,24,27);4-7,10H,1-3,8-9H2,(H2,20,21,22);2*1-10H,(H2,23,24,27)/t30-,31-,35-;26-,27-,30-;;;;;;;;/m00......../s1.
What are the key properties of 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[3-[4-[3-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)anilino]-3-oxopropyl]triazol-1-yl]propyl]pentanamide;5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[[1-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)phenyl]triazol-4-yl]methyl]pentanamide;5-chloro-N-[2-[4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide;1-(4-chlorophenyl)sulfonyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-yl)urea;1-(6-ethylquinolin-8-yl)-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-methylphenyl)sulfonylurea;1-naphthalen-2-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-quinolin-5-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-quinolin-8-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-yl)-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea?
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[3-[4-[3-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)anilino]-3-oxopropyl]triazol-1-yl]propyl]pentanamide;5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[[1-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)phenyl]triazol-4-yl]methyl]pentanamide;5-chloro-N-[2-[4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide;1-(4-chlorophenyl)sulfonyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-yl)urea;1-(6-ethylquinolin-8-yl)-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-methylphenyl)sulfonylurea;1-naphthalen-2-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-quinolin-5-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-quinolin-8-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-yl)-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea has a molecular weight of 5023.30 g/mol, XLogP of 38.91, 62 rotatable bonds, 28 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[3-[4-[3-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)anilino]-3-oxopropyl]triazol-1-yl]propyl]pentanamide;5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[[1-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)phenyl]triazol-4-yl]methyl]pentanamide;5-chloro-N-[2-[4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide;1-(4-chlorophenyl)sulfonyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-yl)urea;1-(6-ethylquinolin-8-yl)-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-methylphenyl)sulfonylurea;1-naphthalen-2-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-quinolin-5-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-quinolin-8-yl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea;1-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-yl)-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea is sourced from PubChem (CID 164997676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).