PRI-724
[4-[[(6S,9S,9aS)-1-(benzylcarbamoyl)-2,9-dimethyl-4,7-dioxo-8-(quinolin-8-ylmethyl)-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazin-6-yl]methyl]phenyl] dihydrogen phosphate
Molecular Identity
PRI-724
[4-[[(6S,9S,9aS)-1-(benzylcarbamoyl)-2,9-dimethyl-4,7-dioxo-8-(quinolin-8-ylmethyl)-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazin-6-yl]methyl]phenyl] dihydrogen phosphate
PubChem CID: 71509318
2D Structure
Properties
C33H35N6O7P
Molecular Formula
658.60
Molecular Weight
g/mol
658.2305
Exact Mass
Da
0.3
XLogP
Drug-like (Lipinski: < 5)
156
TPSA
May have limited oral absorption
3
H-Bond Donors
9
H-Bond Acceptors
1170
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
PRI-7241198780-38-9RefChem:175999(4-(((6S,9S,9aS)-1-(benzylcarbamoyl)-2,9-dimethyl-4,7-dioxo-8-((quinolin-8-yl)methyl)-octahydro-1H-pyrazino(2,1-c)(1,2,4)triazin-6-yl)methyl)phenoxy)phosphonic acid1422253-38-0FoscenvivintFoscenvivint [INN]PRI724CHEMBL527410743Y934BBZ6(S,S)-ICG-001[4-[[(6S,9S,9aS)-1-(benzylcarbamoyl)-2,9-dimethyl-4,7-dioxo-8-(quinolin-8-ylmethyl)-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazin-6-yl]methyl]phenyl] dihydrogen phosphate4-(((6S,9S,9AS)-1-(benzylcarbamoyl)-2,9-dimethyl-4,7-dioxo-8-(quinolin-8-ylmethyl)octahydro-2H-pyrazino[2,1-c][1,2,4]triazin-6-yl)methyl)phenyl dihydrogen phosphate(6S,9S,9aS)-Hexahydro-2,9-dimethyl-4,7-dioxo-N-(phenylmethyl)-6-[[4-(phosphonooxy)phenyl]methyl]-8-(8-quinolinylmethyl)-2H-pyrazino[2,1-c][1,2,4]triazine-1(6H)-carboxamide1422253-38-0 (PRI-724)
Data from PubChem (NCBI)
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