CHEMBL4579109
2-[2-[[4-[(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzoyl]amino]-4-cyanophenyl]acetic acid
Molecular Identity
CHEMBL4579109
2-[2-[[4-[(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzoyl]amino]-4-cyanophenyl]acetic acid
PubChem CID: 139207791
2D Structure
Properties
C23H18N6O4
Molecular Formula
442.40
Molecular Weight
g/mol
442.1390
Exact Mass
Da
1.2
XLogP
Drug-like (Lipinski: < 5)
173
TPSA
May have limited oral absorption
5
H-Bond Donors
6
H-Bond Acceptors
858
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(4)
CHEMBL4579109[2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-cyanophenyl]acetic acidOFDBDBM50528935
Data from PubChem (NCBI)
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