Gsk-1004723
2-[[(2R)-1-[4-[4-[3-(azepan-1-yl)propoxy]phenyl]butyl]pyrrolidin-2-yl]methyl]-4-[(4-chlorophenyl)methyl]phthalazin-1-one
Molecular Identity
Gsk-1004723
2-[[(2R)-1-[4-[4-[3-(azepan-1-yl)propoxy]phenyl]butyl]pyrrolidin-2-yl]methyl]-4-[(4-chlorophenyl)methyl]phthalazin-1-one
PubChem CID: 17747460
2D Structure
Properties
C39H49ClN4O2
Molecular Formula
641.30
Molecular Weight
g/mol
640.3544
Exact Mass
Da
8.3
XLogP
Above Lipinski threshold
48.4
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
5
H-Bond Acceptors
938
Complexity
SMILES
Canonical SMILES
SMILES: C1CCCN(CC1)CCCOC2=CC=C(C=C2)CCCCN3CCCC3CN4C(=O)C5=CC=CC=C5C(=N4)CC6=CC=C(C=C6)ClIsomeric SMILES
SMILES: C1CCCN(CC1)CCCOC2=CC=C(C=C2)CCCCN3CCC[C@@H]3CN4C(=O)C5=CC=CC=C5C(=N4)CC6=CC=C(C=C6)ClSynonyms(20)
GSK-1004723955359-72-5GSK1004723GSK 1004723S08212J4ZR1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(((2R)-1-(4-(4-(3-(hexahydro-1H-azepin-1-yl)propoxy)phenyl)butyl)-2-pyrrolidinyl)methyl)-RefChem:1445002-(((2R)-1-(4-(4-(3-(azepan-1-yl)propoxy)phenyl)butyl)pyrrolidin-2-yl)methyl)-4-((4-chlorophenyl)methyl)-1,2-dihydrophthalazin-1-oneUNII-S08212J4ZRCHEMBL1767164(R)-2-((1-(4-(4-(3-(azepan-1-yl)propoxy)phenyl)butyl)pyrrolidin-2-yl)methyl)-4-(4-chlorobenzyl)phthalazin-1(2H)-one2-[[(2R)-1-[4-[4-[3-(azepan-1-yl)propoxy]phenyl]butyl]pyrrolidin-2-yl]methyl]-4-[(4-chlorophenyl)methyl]phthalazin-1-one4-[(4-chlorophenyl)methyl]-2-({(2r)-1-[4-(4-{[3-(hexahydro-1h-azepin-1-yl)propyl]oxy}phenyl)butyl]-2-pyrrolidinyl}methyl)-1(2h)-phthalazinoneYANGEESWIGIKOP-UUWRZZSWSA-NSCHEMBL986140
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to Gsk-1004723
Loading drug network...