acetic acid;(3S)-3-[4-[4-[7-[4-[2-[(3S)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane;azane;2-(3-bicyclo[3.1.0]hexanyl)-5-(4-bromophenyl)-1H-imidazole;2-(3-bicyclo[3.1.0]hexanyl)-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole;2-bromo-1-(4-bromophenyl)ethanone;3-O-[2-(4-bromophenyl)-2-oxoethyl] 2-O-tert-butyl (3S)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxylate;tert-butyl (3S)-3-[4-[4-[7-[4-[2-(3-bicyclo[3.1.0]hexanyl)-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methyl N-[(2S)-1-[(3S)-3-[4-[4-[7-[4-[2-[(3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(7-methylspiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride

C256H309B3Br4ClF3N24O33S — CID 157144132

IUPACacetic acid;(3S)-3-[4-[4-[7-[4-[2-[(3S)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane;azane;2-(3-bicyclo[3.1.0]hexanyl)-5-(4-bromophenyl)-1H-imidazole;2-(3-bicyclo[3.1.0]hexanyl)-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole;2-bromo-1-(4-bromophenyl)ethanone;3-O-[2-(4-bromophenyl)-2-oxoethyl] 2-O-tert-butyl (3S)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxylate;tert-butyl (3S)-3-[4-[4-[7-[4-[2-(3-bicyclo[3.1.0]hexanyl)-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methyl N-[(2S)-1-[(3S)-3-[4-[4-[7-[4-[2-[(3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(7-methylspiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride
SMILESBrc1ccc(-c2cnc(C3CC4CC4C3)[nH]2)cc1.C1=C(c2ccc(-c3ccc(-c4ccc(-c5cnc([C@@H]6CC7CC7N6)[nH]5)cc4)c4c3CCC43CCCC3)cc2)CC([C@@H]2CC3CC3N2)=N1.CC(=O)O.CC(C)(C)OC(=O)N1C2CC2C[C@H]1C(=O)O.CC(C)(C)OC(=O)N1C2CC2C[C@H]1C(=O)OCC(=O)c1ccc(Br)cc1.CC(C)(C)OC(=O)N1C2CC2C[C@H]1C1=NC=C(c2ccc(-c3ccc(-c4ccc(-c5cnc(C6CC7CC7C6)[nH]5)cc4)c4c3CCC43CCCC3)cc2)C1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(-c3cnc(C4CC5CC5C4)[nH]3)cc2)OC1(C)C.COC(=O)N[C@H](C(=O)N1C2CC2C[C@H]1C1=NC=C(c2ccc(-c3ccc(-c4ccc(-c5cnc([C@@H]6CC7CC7N6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]5)cc4)c4c3CCC43CCCC3)cc2)C1)C(C)C.COC(=O)N[C@H](C(=O)O)C(C)C.Cc1ccc(OS(=O)(=O)C(F)(F)F)c2c1CCC21CCCC1.Cl.N.O=C(CBr)c1ccc(Br)cc1
InChIInChI=1S/C56H65N7O6.C48H52N4O2.C42H43N5.C21H27BN2O2.C19H22BrNO5.C15H15BrN2.C15H17F3O3S.C12H24B2O4.C11H17NO4.C8H6Br2O.C7H13NO4.C2H4O2.ClH.H3N/c1-30(2)49(60-54(66)68-5)52(64)62-44-24-36(44)26-46(62)42-23-38(28-57-42)32-9-11-33(12-10-32)39-17-18-40(48-41(39)19-22-56(48)20-7-8-21-56)34-13-15-35(16-14-34)43-29-58-51(59-43)47-27-37-25-45(37)63(47)53(65)50(31(3)4)61-55(67)69-6;1-47(2,3)54-46(53)52-42-24-34(42)25-43(52)40-23-36(26-49-40)28-6-8-29(9-7-28)37-14-15-38(44-39(37)16-19-48(44)17-4-5-18-48)30-10-12-31(13-11-30)41-27-50-45(51-41)35-21-32-20-33(32)22-35;1-2-15-42(14-1)16-13-33-31(25-5-3-24(4-6-25)30-21-36(43-22-30)37-19-28-17-34(28)45-37)11-12-32(40(33)42)26-7-9-27(10-8-26)39-23-44-41(47-39)38-20-29-18-35(29)46-38;1-20(2)21(3,4)26-22(25-20)17-7-5-13(6-8-17)18-12-23-19(24-18)16-10-14-9-15(14)11-16;1-19(2,3)26-18(24)21-14-8-12(14)9-15(21)17(23)25-10-16(22)11-4-6-13(20)7-5-11;16-13-3-1-9(2-4-13)14-8-17-15(18-14)12-6-10-5-11(10)7-12;1-10-4-5-12(21-22(19,20)15(16,17)18)13-11(10)6-9-14(13)7-2-3-8-14;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-11(2,3)16-10(15)12-7-4-6(7)5-8(12)9(13)14;9-5-8(11)6-1-3-7(10)4-2-6;1-4(2)5(6(9)10)8-7(11)12-3;1-2(3)4;;/h9-18,28-31,36-37,44-47,49-50H,7-8,19-27H2,1-6H3,(H,58,59)(H,60,66)(H,61,67);6-15,26-27,32-35,42-43H,4-5,16-25H2,1-3H3,(H,50,51);3-12,22-23,28-29,34-35,37-38,45-46H,1-2,13-21H2,(H,44,47);5-8,12,14-16H,9-11H2,1-4H3,(H,23,24);4-7,12,14-15H,8-10H2,1-3H3;1-4,8,10-12H,5-7H2,(H,17,18);4-5H,2-3,6-9H2,1H3;1-8H3;6-8H,4-5H2,1-3H3,(H,13,14);1-4H,5H2;4-5H,1-3H3,(H,8,11)(H,9,10);1H3,(H,3,4);1H;1H3/t36?,37?,44?,45?,46-,47-,49-,50-;32?,33?,34?,35?,42?,43-;28?,29?,34?,35?,37-,38-;;12?,14?,15-;;;;6?,7?,8-;;5-;;;/m000.0...0.0.../s1
InChIKeyPNFFMKXBWMYQEH-CPZYJNPLSA-N
MW4726.99 g/mol
LogP53.23
Rot. Bonds42

About acetic acid;(3S)-3-[4-[4-[7-[4-[2-[(3S)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane;azane;2-(3-bicyclo[3.1.0]hexanyl)-5-(4-bromophenyl)-1H-imidazole;2-(3-bicyclo[3.1.0]hexanyl)-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole;2-bromo-1-(4-bromophenyl)ethanone;3-O-[2-(4-bromophenyl)-2-oxoethyl] 2-O-tert-butyl (3S)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxylate;tert-butyl (3S)-3-[4-[4-[7-[4-[2-(3-bicyclo[3.1.0]hexanyl)-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methyl N-[(2S)-1-[(3S)-3-[4-[4-[7-[4-[2-[(3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(7-methylspiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride

acetic acid;(3S)-3-[4-[4-[7-[4-[2-[(3S)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane;azane;2-(3-bicyclo[3.1.0]hexanyl)-5-(4-bromophenyl)-1H-imidazole;2-(3-bicyclo[3.1.0]hexanyl)-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole;2-bromo-1-(4-bromophenyl)ethanone;3-O-[2-(4-bromophenyl)-2-oxoethyl] 2-O-tert-butyl (3S)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxylate;tert-butyl (3S)-3-[4-[4-[7-[4-[2-(3-bicyclo[3.1.0]hexanyl)-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methyl N-[(2S)-1-[(3S)-3-[4-[4-[7-[4-[2-[(3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(7-methylspiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride (PubChem CID 157144132) has the molecular formula C256H309B3Br4ClF3N24O33S and a molecular weight of 4726.99 g/mol. Its IUPAC name is acetic acid;(3S)-3-[4-[4-[7-[4-[2-[(3S)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane;azane;2-(3-bicyclo[3.1.0]hexanyl)-5-(4-bromophenyl)-1H-imidazole;2-(3-bicyclo[3.1.0]hexanyl)-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole;2-bromo-1-(4-bromophenyl)ethanone;3-O-[2-(4-bromophenyl)-2-oxoethyl] 2-O-tert-butyl (3S)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxylate;tert-butyl (3S)-3-[4-[4-[7-[4-[2-(3-bicyclo[3.1.0]hexanyl)-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methyl N-[(2S)-1-[(3S)-3-[4-[4-[7-[4-[2-[(3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(7-methylspiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride.

Molecular Properties

Compound Nameacetic acid;(3S)-3-[4-[4-[7-[4-[2-[(3S)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane;azane;2-(3-bicyclo[3.1.0]hexanyl)-5-(4-bromophenyl)-1H-imidazole;2-(3-bicyclo[3.1.0]hexanyl)-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole;2-bromo-1-(4-bromophenyl)ethanone;3-O-[2-(4-bromophenyl)-2-oxoethyl] 2-O-tert-butyl (3S)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxylate;tert-butyl (3S)-3-[4-[4-[7-[4-[2-(3-bicyclo[3.1.0]hexanyl)-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methyl N-[(2S)-1-[(3S)-3-[4-[4-[7-[4-[2-[(3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(7-methylspiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride
PubChem CID157144132
Molecular FormulaC256H309B3Br4ClF3N24O33S
Molecular Weight4726.99 g/mol
Exact Mass4719.96
IUPAC Nameacetic acid;(3S)-3-[4-[4-[7-[4-[2-[(3S)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane;azane;2-(3-bicyclo[3.1.0]hexanyl)-5-(4-bromophenyl)-1H-imidazole;2-(3-bicyclo[3.1.0]hexanyl)-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole;2-bromo-1-(4-bromophenyl)ethanone;3-O-[2-(4-bromophenyl)-2-oxoethyl] 2-O-tert-butyl (3S)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxylate;tert-butyl (3S)-3-[4-[4-[7-[4-[2-(3-bicyclo[3.1.0]hexanyl)-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methyl N-[(2S)-1-[(3S)-3-[4-[4-[7-[4-[2-[(3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(7-methylspiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride
SMILESBrc1ccc(-c2cnc(C3CC4CC4C3)[nH]2)cc1.C1=C(c2ccc(-c3ccc(-c4ccc(-c5cnc([C@@H]6CC7CC7N6)[nH]5)cc4)c4c3CCC43CCCC3)cc2)CC([C@@H]2CC3CC3N2)=N1.CC(=O)O.CC(C)(C)OC(=O)N1C2CC2C[C@H]1C(=O)O.CC(C)(C)OC(=O)N1C2CC2C[C@H]1C(=O)OCC(=O)c1ccc(Br)cc1.CC(C)(C)OC(=O)N1C2CC2C[C@H]1C1=NC=C(c2ccc(-c3ccc(-c4ccc(-c5cnc(C6CC7CC7C6)[nH]5)cc4)c4c3CCC43CCCC3)cc2)C1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(-c3cnc(C4CC5CC5C4)[nH]3)cc2)OC1(C)C.COC(=O)N[C@H](C(=O)N1C2CC2C[C@H]1C1=NC=C(c2ccc(-c3ccc(-c4ccc(-c5cnc([C@@H]6CC7CC7N6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]5)cc4)c4c3CCC43CCCC3)cc2)C1)C(C)C.COC(=O)N[C@H](C(=O)O)C(C)C.Cc1ccc(OS(=O)(=O)C(F)(F)F)c2c1CCC21CCCC1.Cl.N.O=C(CBr)c1ccc(Br)cc1
InChIInChI=1S/C56H65N7O6.C48H52N4O2.C42H43N5.C21H27BN2O2.C19H22BrNO5.C15H15BrN2.C15H17F3O3S.C12H24B2O4.C11H17NO4.C8H6Br2O.C7H13NO4.C2H4O2.ClH.H3N/c1-30(2)49(60-54(66)68-5)52(64)62-44-24-36(44)26-46(62)42-23-38(28-57-42)32-9-11-33(12-10-32)39-17-18-40(48-41(39)19-22-56(48)20-7-8-21-56)34-13-15-35(16-14-34)43-29-58-51(59-43)47-27-37-25-45(37)63(47)53(65)50(31(3)4)61-55(67)69-6;1-47(2,3)54-46(53)52-42-24-34(42)25-43(52)40-23-36(26-49-40)28-6-8-29(9-7-28)37-14-15-38(44-39(37)16-19-48(44)17-4-5-18-48)30-10-12-31(13-11-30)41-27-50-45(51-41)35-21-32-20-33(32)22-35;1-2-15-42(14-1)16-13-33-31(25-5-3-24(4-6-25)30-21-36(43-22-30)37-19-28-17-34(28)45-37)11-12-32(40(33)42)26-7-9-27(10-8-26)39-23-44-41(47-39)38-20-29-18-35(29)46-38;1-20(2)21(3,4)26-22(25-20)17-7-5-13(6-8-17)18-12-23-19(24-18)16-10-14-9-15(14)11-16;1-19(2,3)26-18(24)21-14-8-12(14)9-15(21)17(23)25-10-16(22)11-4-6-13(20)7-5-11;16-13-3-1-9(2-4-13)14-8-17-15(18-14)12-6-10-5-11(10)7-12;1-10-4-5-12(21-22(19,20)15(16,17)18)13-11(10)6-9-14(13)7-2-3-8-14;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-11(2,3)16-10(15)12-7-4-6(7)5-8(12)9(13)14;9-5-8(11)6-1-3-7(10)4-2-6;1-4(2)5(6(9)10)8-7(11)12-3;1-2(3)4;;/h9-18,28-31,36-37,44-47,49-50H,7-8,19-27H2,1-6H3,(H,58,59)(H,60,66)(H,61,67);6-15,26-27,32-35,42-43H,4-5,16-25H2,1-3H3,(H,50,51);3-12,22-23,28-29,34-35,37-38,45-46H,1-2,13-21H2,(H,44,47);5-8,12,14-16H,9-11H2,1-4H3,(H,23,24);4-7,12,14-15H,8-10H2,1-3H3;1-4,8,10-12H,5-7H2,(H,17,18);4-5H,2-3,6-9H2,1H3;1-8H3;6-8H,4-5H2,1-3H3,(H,13,14);1-4H,5H2;4-5H,1-3H3,(H,8,11)(H,9,10);1H3,(H,3,4);1H;1H3/t36?,37?,44?,45?,46-,47-,49-,50-;32?,33?,34?,35?,42?,43-;28?,29?,34?,35?,37-,38-;;12?,14?,15-;;;;6?,7?,8-;;5-;;;/m000.0...0.0.../s1
InChIKeyPNFFMKXBWMYQEH-CPZYJNPLSA-N
XLogP53.23
TPSA754.86 Ų
H-Bond Donors14
H-Bond Acceptors41
Rotatable Bonds42
Heavy Atoms325
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004726.99
LogP ≤ 553.23
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1041

Analyze acetic acid;(3S)-3-[4-[4-[7-[4-[2-[(3S)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane;azane;2-(3-bicyclo[3.1.0]hexanyl)-5-(4-bromophenyl)-1H-imidazole;2-(3-bicyclo[3.1.0]hexanyl)-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole;2-bromo-1-(4-bromophenyl)ethanone;3-O-[2-(4-bromophenyl)-2-oxoethyl] 2-O-tert-butyl (3S)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxylate;tert-butyl (3S)-3-[4-[4-[7-[4-[2-(3-bicyclo[3.1.0]hexanyl)-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methyl N-[(2S)-1-[(3S)-3-[4-[4-[7-[4-[2-[(3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(7-methylspiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of acetic acid;(3S)-3-[4-[4-[7-[4-[2-[(3S)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane;azane;2-(3-bicyclo[3.1.0]hexanyl)-5-(4-bromophenyl)-1H-imidazole;2-(3-bicyclo[3.1.0]hexanyl)-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole;2-bromo-1-(4-bromophenyl)ethanone;3-O-[2-(4-bromophenyl)-2-oxoethyl] 2-O-tert-butyl (3S)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxylate;tert-butyl (3S)-3-[4-[4-[7-[4-[2-(3-bicyclo[3.1.0]hexanyl)-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methyl N-[(2S)-1-[(3S)-3-[4-[4-[7-[4-[2-[(3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(7-methylspiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride?
The IUPAC name of acetic acid;(3S)-3-[4-[4-[7-[4-[2-[(3S)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane;azane;2-(3-bicyclo[3.1.0]hexanyl)-5-(4-bromophenyl)-1H-imidazole;2-(3-bicyclo[3.1.0]hexanyl)-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole;2-bromo-1-(4-bromophenyl)ethanone;3-O-[2-(4-bromophenyl)-2-oxoethyl] 2-O-tert-butyl (3S)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxylate;tert-butyl (3S)-3-[4-[4-[7-[4-[2-(3-bicyclo[3.1.0]hexanyl)-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methyl N-[(2S)-1-[(3S)-3-[4-[4-[7-[4-[2-[(3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(7-methylspiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride (CID 157144132) is acetic acid;(3S)-3-[4-[4-[7-[4-[2-[(3S)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane;azane;2-(3-bicyclo[3.1.0]hexanyl)-5-(4-bromophenyl)-1H-imidazole;2-(3-bicyclo[3.1.0]hexanyl)-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole;2-bromo-1-(4-bromophenyl)ethanone;3-O-[2-(4-bromophenyl)-2-oxoethyl] 2-O-tert-butyl (3S)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxylate;tert-butyl (3S)-3-[4-[4-[7-[4-[2-(3-bicyclo[3.1.0]hexanyl)-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methyl N-[(2S)-1-[(3S)-3-[4-[4-[7-[4-[2-[(3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(7-methylspiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride.
What is the SMILES notation for acetic acid;(3S)-3-[4-[4-[7-[4-[2-[(3S)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane;azane;2-(3-bicyclo[3.1.0]hexanyl)-5-(4-bromophenyl)-1H-imidazole;2-(3-bicyclo[3.1.0]hexanyl)-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole;2-bromo-1-(4-bromophenyl)ethanone;3-O-[2-(4-bromophenyl)-2-oxoethyl] 2-O-tert-butyl (3S)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxylate;tert-butyl (3S)-3-[4-[4-[7-[4-[2-(3-bicyclo[3.1.0]hexanyl)-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methyl N-[(2S)-1-[(3S)-3-[4-[4-[7-[4-[2-[(3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(7-methylspiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride?
The canonical SMILES for acetic acid;(3S)-3-[4-[4-[7-[4-[2-[(3S)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane;azane;2-(3-bicyclo[3.1.0]hexanyl)-5-(4-bromophenyl)-1H-imidazole;2-(3-bicyclo[3.1.0]hexanyl)-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole;2-bromo-1-(4-bromophenyl)ethanone;3-O-[2-(4-bromophenyl)-2-oxoethyl] 2-O-tert-butyl (3S)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxylate;tert-butyl (3S)-3-[4-[4-[7-[4-[2-(3-bicyclo[3.1.0]hexanyl)-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methyl N-[(2S)-1-[(3S)-3-[4-[4-[7-[4-[2-[(3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(7-methylspiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride is Brc1ccc(-c2cnc(C3CC4CC4C3)[nH]2)cc1.C1=C(c2ccc(-c3ccc(-c4ccc(-c5cnc([C@@H]6CC7CC7N6)[nH]5)cc4)c4c3CCC43CCCC3)cc2)CC([C@@H]2CC3CC3N2)=N1.CC(=O)O.CC(C)(C)OC(=O)N1C2CC2C[C@H]1C(=O)O.CC(C)(C)OC(=O)N1C2CC2C[C@H]1C(=O)OCC(=O)c1ccc(Br)cc1.CC(C)(C)OC(=O)N1C2CC2C[C@H]1C1=NC=C(c2ccc(-c3ccc(-c4ccc(-c5cnc(C6CC7CC7C6)[nH]5)cc4)c4c3CCC43CCCC3)cc2)C1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(-c3cnc(C4CC5CC5C4)[nH]3)cc2)OC1(C)C.COC(=O)N[C@H](C(=O)N1C2CC2C[C@H]1C1=NC=C(c2ccc(-c3ccc(-c4ccc(-c5cnc([C@@H]6CC7CC7N6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]5)cc4)c4c3CCC43CCCC3)cc2)C1)C(C)C.COC(=O)N[C@H](C(=O)O)C(C)C.Cc1ccc(OS(=O)(=O)C(F)(F)F)c2c1CCC21CCCC1.Cl.N.O=C(CBr)c1ccc(Br)cc1.
What is the InChIKey of acetic acid;(3S)-3-[4-[4-[7-[4-[2-[(3S)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane;azane;2-(3-bicyclo[3.1.0]hexanyl)-5-(4-bromophenyl)-1H-imidazole;2-(3-bicyclo[3.1.0]hexanyl)-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole;2-bromo-1-(4-bromophenyl)ethanone;3-O-[2-(4-bromophenyl)-2-oxoethyl] 2-O-tert-butyl (3S)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxylate;tert-butyl (3S)-3-[4-[4-[7-[4-[2-(3-bicyclo[3.1.0]hexanyl)-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methyl N-[(2S)-1-[(3S)-3-[4-[4-[7-[4-[2-[(3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(7-methylspiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride?
The InChIKey is PNFFMKXBWMYQEH-CPZYJNPLSA-N. The full InChI is InChI=1S/C56H65N7O6.C48H52N4O2.C42H43N5.C21H27BN2O2.C19H22BrNO5.C15H15BrN2.C15H17F3O3S.C12H24B2O4.C11H17NO4.C8H6Br2O.C7H13NO4.C2H4O2.ClH.H3N/c1-30(2)49(60-54(66)68-5)52(64)62-44-24-36(44)26-46(62)42-23-38(28-57-42)32-9-11-33(12-10-32)39-17-18-40(48-41(39)19-22-56(48)20-7-8-21-56)34-13-15-35(16-14-34)43-29-58-51(59-43)47-27-37-25-45(37)63(47)53(65)50(31(3)4)61-55(67)69-6;1-47(2,3)54-46(53)52-42-24-34(42)25-43(52)40-23-36(26-49-40)28-6-8-29(9-7-28)37-14-15-38(44-39(37)16-19-48(44)17-4-5-18-48)30-10-12-31(13-11-30)41-27-50-45(51-41)35-21-32-20-33(32)22-35;1-2-15-42(14-1)16-13-33-31(25-5-3-24(4-6-25)30-21-36(43-22-30)37-19-28-17-34(28)45-37)11-12-32(40(33)42)26-7-9-27(10-8-26)39-23-44-41(47-39)38-20-29-18-35(29)46-38;1-20(2)21(3,4)26-22(25-20)17-7-5-13(6-8-17)18-12-23-19(24-18)16-10-14-9-15(14)11-16;1-19(2,3)26-18(24)21-14-8-12(14)9-15(21)17(23)25-10-16(22)11-4-6-13(20)7-5-11;16-13-3-1-9(2-4-13)14-8-17-15(18-14)12-6-10-5-11(10)7-12;1-10-4-5-12(21-22(19,20)15(16,17)18)13-11(10)6-9-14(13)7-2-3-8-14;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-11(2,3)16-10(15)12-7-4-6(7)5-8(12)9(13)14;9-5-8(11)6-1-3-7(10)4-2-6;1-4(2)5(6(9)10)8-7(11)12-3;1-2(3)4;;/h9-18,28-31,36-37,44-47,49-50H,7-8,19-27H2,1-6H3,(H,58,59)(H,60,66)(H,61,67);6-15,26-27,32-35,42-43H,4-5,16-25H2,1-3H3,(H,50,51);3-12,22-23,28-29,34-35,37-38,45-46H,1-2,13-21H2,(H,44,47);5-8,12,14-16H,9-11H2,1-4H3,(H,23,24);4-7,12,14-15H,8-10H2,1-3H3;1-4,8,10-12H,5-7H2,(H,17,18);4-5H,2-3,6-9H2,1H3;1-8H3;6-8H,4-5H2,1-3H3,(H,13,14);1-4H,5H2;4-5H,1-3H3,(H,8,11)(H,9,10);1H3,(H,3,4);1H;1H3/t36?,37?,44?,45?,46-,47-,49-,50-;32?,33?,34?,35?,42?,43-;28?,29?,34?,35?,37-,38-;;12?,14?,15-;;;;6?,7?,8-;;5-;;;/m000.0...0.0.../s1.
What are the key properties of acetic acid;(3S)-3-[4-[4-[7-[4-[2-[(3S)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane;azane;2-(3-bicyclo[3.1.0]hexanyl)-5-(4-bromophenyl)-1H-imidazole;2-(3-bicyclo[3.1.0]hexanyl)-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole;2-bromo-1-(4-bromophenyl)ethanone;3-O-[2-(4-bromophenyl)-2-oxoethyl] 2-O-tert-butyl (3S)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxylate;tert-butyl (3S)-3-[4-[4-[7-[4-[2-(3-bicyclo[3.1.0]hexanyl)-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methyl N-[(2S)-1-[(3S)-3-[4-[4-[7-[4-[2-[(3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(7-methylspiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride?
acetic acid;(3S)-3-[4-[4-[7-[4-[2-[(3S)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane;azane;2-(3-bicyclo[3.1.0]hexanyl)-5-(4-bromophenyl)-1H-imidazole;2-(3-bicyclo[3.1.0]hexanyl)-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole;2-bromo-1-(4-bromophenyl)ethanone;3-O-[2-(4-bromophenyl)-2-oxoethyl] 2-O-tert-butyl (3S)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxylate;tert-butyl (3S)-3-[4-[4-[7-[4-[2-(3-bicyclo[3.1.0]hexanyl)-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methyl N-[(2S)-1-[(3S)-3-[4-[4-[7-[4-[2-[(3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(7-methylspiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride has a molecular weight of 4726.99 g/mol, XLogP of 53.23, 42 rotatable bonds, 14 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(3S)-3-[4-[4-[7-[4-[2-[(3S)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane;azane;2-(3-bicyclo[3.1.0]hexanyl)-5-(4-bromophenyl)-1H-imidazole;2-(3-bicyclo[3.1.0]hexanyl)-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole;2-bromo-1-(4-bromophenyl)ethanone;3-O-[2-(4-bromophenyl)-2-oxoethyl] 2-O-tert-butyl (3S)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxylate;tert-butyl (3S)-3-[4-[4-[7-[4-[2-(3-bicyclo[3.1.0]hexanyl)-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methyl N-[(2S)-1-[(3S)-3-[4-[4-[7-[4-[2-[(3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(7-methylspiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride is sourced from PubChem (CID 157144132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).