Engasertib
6-[4-(1-amino-3-hydroxycyclobutyl)phenyl]-1-ethyl-7-phenylpyrido[2,3-b][1,4]oxazin-2-one
Molecular Identity
Engasertib
6-[4-(1-amino-3-hydroxycyclobutyl)phenyl]-1-ethyl-7-phenylpyrido[2,3-b][1,4]oxazin-2-one
PubChem CID: 68299673
2D Structure
Properties
C25H25N3O3
Molecular Formula
415.50
Molecular Weight
g/mol
415.1896
Exact Mass
Da
2.6
XLogP
Drug-like (Lipinski: < 5)
88.7
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
638
Complexity
SMILES
Canonical SMILES
SMILES: CCN1C(=O)COC2=C1C=C(C(=N2)C3=CC=C(C=C3)C4(CC(C4)O)N)C5=CC=CC=C5Isomeric SMILES
SMILES: CCN1C(=O)COC2=C1C=C(C(=N2)C3=CC=C(C=C3)C4(CC(C4)O)N)C5=CC=CC=C5Synonyms(20)
ALM3011313439-71-2VAD044EngasertibVAD-0446-[4-(cis-1-Amino-3-hydroxycyclobutyl)phenyl]-1-ethyl-7-phenyl-1H-pyrido[2,3-b][1,4]oxazin-2(3H)-one6-[4-(1-amino-3-hydroxycyclobutyl)phenyl]-1-ethyl-7-phenylpyrido[2,3-b][1,4]oxazin-2-one1H-Pyrido[2,3-b][1,4]oxazin-2(3H)-one, 6-[4-(cis-1-amino-3-hydroxycyclobutyl)phenyl]-1-ethyl-7-phenyl-engasertib [INN]K2US8HW4TQorb1687889CHEMBL5314970SCHEMBL12506659SCHEMBL14917320GTPL13743
Data from PubChem (NCBI)
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Drug Network
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