About 6-bromohexanoic acid;4-[[3-[4-(6-bromohexanoyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indol-1-yl]phenol;4-[[3-[4-[6-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indol-1-yl]phenoxy]hexanoyl]piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenol;2,6-difluoro-4-hydroxybenzaldehyde;2-fluoro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methylpropan-1-amine;4-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;hydrochloride
6-bromohexanoic acid;4-[[3-[4-(6-bromohexanoyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indol-1-yl]phenol;4-[[3-[4-[6-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indol-1-yl]phenoxy]hexanoyl]piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenol;2,6-difluoro-4-hydroxybenzaldehyde;2-fluoro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methylpropan-1-amine;4-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;hydrochloride (PubChem CID 158425595) has the molecular formula C166H184Br2ClF15N20O15
and a molecular weight of 3179.65 g/mol. Its IUPAC name is 6-bromohexanoic acid;4-[[3-[4-(6-bromohexanoyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indol-1-yl]phenol;4-[[3-[4-[6-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indol-1-yl]phenoxy]hexanoyl]piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenol;2,6-difluoro-4-hydroxybenzaldehyde;2-fluoro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methylpropan-1-amine;4-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;hydrochloride.
Frequently Asked Questions
What is the IUPAC name of 6-bromohexanoic acid;4-[[3-[4-(6-bromohexanoyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indol-1-yl]phenol;4-[[3-[4-[6-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indol-1-yl]phenoxy]hexanoyl]piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenol;2,6-difluoro-4-hydroxybenzaldehyde;2-fluoro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methylpropan-1-amine;4-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;hydrochloride?
The IUPAC name of 6-bromohexanoic acid;4-[[3-[4-(6-bromohexanoyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indol-1-yl]phenol;4-[[3-[4-[6-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indol-1-yl]phenoxy]hexanoyl]piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenol;2,6-difluoro-4-hydroxybenzaldehyde;2-fluoro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methylpropan-1-amine;4-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;hydrochloride (CID 158425595) is 6-bromohexanoic acid;4-[[3-[4-(6-bromohexanoyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indol-1-yl]phenol;4-[[3-[4-[6-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indol-1-yl]phenoxy]hexanoyl]piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenol;2,6-difluoro-4-hydroxybenzaldehyde;2-fluoro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methylpropan-1-amine;4-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;hydrochloride.
What is the SMILES notation for 6-bromohexanoic acid;4-[[3-[4-(6-bromohexanoyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indol-1-yl]phenol;4-[[3-[4-[6-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indol-1-yl]phenoxy]hexanoyl]piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenol;2,6-difluoro-4-hydroxybenzaldehyde;2-fluoro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methylpropan-1-amine;4-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;hydrochloride?
The canonical SMILES for 6-bromohexanoic acid;4-[[3-[4-(6-bromohexanoyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indol-1-yl]phenol;4-[[3-[4-[6-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indol-1-yl]phenoxy]hexanoyl]piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenol;2,6-difluoro-4-hydroxybenzaldehyde;2-fluoro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methylpropan-1-amine;4-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;hydrochloride is C[C@@H]1CC2c3ccccc3NC2[C@@H](c2c(F)cc(O)cc2F)N1CC(C)(C)F.C[C@@H]1CC2c3ccccc3NC2[C@@H](c2c(F)cc(OCCCCCC(=O)N3CCN(C(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)CC3)cc2F)N1CC(C)(C)F.C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(O)cc2F)N1CC(C)(C)F.C[C@H](Cc1c[nH]c2ccccc12)NCC(C)(C)F.Cl.O=C(CCCCCBr)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1.O=C(O)CCCCCBr.O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCNCC1.O=Cc1c(F)cc(O)cc1F.
What is the InChIKey of 6-bromohexanoic acid;4-[[3-[4-(6-bromohexanoyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indol-1-yl]phenol;4-[[3-[4-[6-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indol-1-yl]phenoxy]hexanoyl]piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenol;2,6-difluoro-4-hydroxybenzaldehyde;2-fluoro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methylpropan-1-amine;4-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;hydrochloride?
The InChIKey is PWMLDSBTBDCKIG-AETXWPQGSA-N. The full InChI is InChI=1S/C48H52F4N6O4.C26H28BrFN4O3.C22H25F3N2O.C22H23F3N2O.C20H19FN4O2.C15H21FN2.C7H4F2O2.C6H11BrO2.ClH/c1-29-23-35-33-12-8-9-14-40(33)53-44(35)45(58(29)28-48(2,3)52)43-38(50)26-31(27-39(43)51)62-22-10-4-5-15-42(59)56-18-20-57(21-19-56)47(61)36-24-30(16-17-37(36)49)25-41-32-11-6-7-13-34(32)46(60)55-54-41;27-11-5-1-2-8-24(33)31-12-14-32(15-13-31)26(35)21-16-18(9-10-22(21)28)17-23-19-6-3-4-7-20(19)25(34)30-29-23;2*1-12-8-15-14-6-4-5-7-18(14)26-20(15)21(27(12)11-22(2,3)25)19-16(23)9-13(28)10-17(19)24;21-17-6-5-13(11-16(17)20(27)25-9-7-22-8-10-25)12-18-14-3-1-2-4-15(14)19(26)24-23-18;1-11(18-10-15(2,3)16)8-12-9-17-14-7-5-4-6-13(12)14;8-6-1-4(11)2-7(9)5(6)3-10;7-5-3-1-2-4-6(8)9;/h6-9,11-14,16-17,24,26-27,29,35,44-45,53H,4-5,10,15,18-23,25,28H2,1-3H3,(H,55,60);3-4,6-7,9-10,16H,1-2,5,8,11-15,17H2,(H,30,34);4-7,9-10,12,15,20-21,26,28H,8,11H2,1-3H3;4-7,9-10,12,21,26,28H,8,11H2,1-3H3;1-6,11,22H,7-10,12H2,(H,24,26);4-7,9,11,17-18H,8,10H2,1-3H3;1-3,11H;1-5H2,(H,8,9);1H/t29-,35?,44?,45-;;12-,15?,20?,21-;12-,21-;;11-;;;/m1.11.1.../s1.
What are the key properties of 6-bromohexanoic acid;4-[[3-[4-(6-bromohexanoyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indol-1-yl]phenol;4-[[3-[4-[6-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indol-1-yl]phenoxy]hexanoyl]piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenol;2,6-difluoro-4-hydroxybenzaldehyde;2-fluoro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methylpropan-1-amine;4-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;hydrochloride?
6-bromohexanoic acid;4-[[3-[4-(6-bromohexanoyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indol-1-yl]phenol;4-[[3-[4-[6-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indol-1-yl]phenoxy]hexanoyl]piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenol;2,6-difluoro-4-hydroxybenzaldehyde;2-fluoro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methylpropan-1-amine;4-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;hydrochloride has a molecular weight of 3179.65 g/mol, XLogP of 31.64, 41 rotatable bonds, 13 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromohexanoic acid;4-[[3-[4-(6-bromohexanoyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indol-1-yl]phenol;4-[[3-[4-[6-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indol-1-yl]phenoxy]hexanoyl]piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenol;2,6-difluoro-4-hydroxybenzaldehyde;2-fluoro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methylpropan-1-amine;4-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;hydrochloride is sourced from PubChem (CID 158425595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).