Tilpisertib Fosmecarbil
phosphonooxymethyl N-[(S)-[1-(1-bicyclo[1.1.1]pentanyl)triazol-4-yl]-(2-methyl-1-oxoisoquinolin-5-yl)methyl]-N-[8-chloro-3-cyano-4-(2,2-dimethylpropylamino)quinolin-6-yl]carbamate
Molecular Identity
Tilpisertib Fosmecarbil
phosphonooxymethyl N-[(S)-[1-(1-bicyclo[1.1.1]pentanyl)triazol-4-yl]-(2-methyl-1-oxoisoquinolin-5-yl)methyl]-N-[8-chloro-3-cyano-4-(2,2-dimethylpropylamino)quinolin-6-yl]carbamate
PubChem CID: 155407072
2D Structure
Properties
C35H36ClN8O7P
Molecular Formula
747.10
Molecular Weight
g/mol
746.2133
Exact Mass
Da
4.1
XLogP
Drug-like (Lipinski: < 5)
196
TPSA
May have limited oral absorption
3
H-Bond Donors
12
H-Bond Acceptors
1480
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(C)CNC1=C2C=C(C=C(C2=NC=C1C#N)Cl)N(C(C3=CC=CC4=C3C=CN(C4=O)C)C5=CN(N=N5)C67CC(C6)C7)C(=O)OCOP(=O)(O)OIsomeric SMILES
SMILES: CC(C)(C)CNC1=C2C=C(C=C(C2=NC=C1C#N)Cl)N([C@@H](C3=CC=CC4=C3C=CN(C4=O)C)C5=CN(N=N5)C67CC(C6)C7)C(=O)OCOP(=O)(O)OSynonyms(20)
Tilpisertib fosmecarbil2567459-64-5H1W0G02O9Tphosphonooxymethyl N-[(S)-[1-(1-bicyclo[1.1.1]pentanyl)triazol-4-yl]-(2-methyl-1-oxoisoquinolin-5-yl)methyl]-N-[8-chloro-3-cyano-4-(2,2-dimethylpropylamino)quinolin-6-yl]carbamatephosphonooxymethyl N-((S)-(1-(1-bicyclo(1.1.1)pentanyl)triazol-4-yl)-(2-methyl-1-oxoisoquinolin-5-yl)methyl)-N-(8-chloro-3-cyano-4-(2,2-dimethylpropylamino)quinolin-6-yl)carbamateRefChem:1100121Tilpisertib fosmecarbil [INN]UNII-H1W0G02O9T(Phosphonooxy)methyl N-((S)-(1-(bicyclo(1.1.1)pentan-1-yl)-1H-1,2,3-triazol-4-yl)(2-methyl-1-oxo-1,2-dihydroisoquinolin-5-yl)methyl)-N-(8-chloro-3-cyano-4-((2,2-dimethylpropyl)amino)quinolin-6-yl)carbamate(phosphonooxy)methyl N-[(S)-[1-(bicyclo[1.1.1]pentan-1-yl)-1H-1,2,3-triazol-4-yl](2-methyl-1-oxo-1,2-dihydroisoquinolin-5-yl)methyl]-N-{8-chloro-3-cyano-4-[(2,2-dimethylpropyl)amino]quinolin-6-yl]carbamateTilpisertib fosmecarbiloorb1744996CHEMBL6067963SCHEMBL22797007SCHEMBL29551113
Data from PubChem (NCBI)
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