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: CC1C2N(C(C(=O)N1CC3=CC=CC4=C3N=CC=C4)CC5=CC=C(C=C5)OP(=O)(O)O)C(=O)CN(N2C(=O)NCC6=CC=CC=C6)CIsomeric SMILES
SMILES: C[C@H]1[C@H]2N([C@H](C(=O)N1CC3=CC=CC4=C3N=CC=C4)CC5=CC=C(C=C5)OP(=O)(O)O)C(=O)CN(N2C(=O)NCC6=CC=CC=C6)CSynonyms(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](S,S)-ICG-001PRI72443Y934BBZ6[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 phosphateCHEMBL5274107(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)-carboxamide2H-Pyrazino(2,1-C)(1,2,4)triazine-1(6H)-carboxamide, hexahydro-2,9-dimethyl-4,7-dioxo-N-(phenylmethyl)-6-((4-(phosphonooxy)phenyl)methyl)-8-(8-quinolinylmethyl)-, (6S,9S,9aS)-
Data from PubChem (NCBI)
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