DNA-PK-IN-11
3-fluoro-4-[7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile
Molecular Identity
DNA-PK-IN-11
3-fluoro-4-[7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile
PubChem CID: 56847587
2D Structure
Properties
C23H17FN6O2
Molecular Formula
428.40
Molecular Weight
g/mol
428.1397
Exact Mass
Da
2.5
XLogP
Drug-like (Lipinski: < 5)
87.3
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
6
H-Bond Acceptors
775
Complexity
SMILES
Canonical SMILES
SMILES: CN1C=C(C=N1)C2=C(C=C3C(=C2)C4=C(C=N3)N(C(=O)N4C5=C(C=C(C=C5)C#N)F)C)OCIsomeric SMILES
SMILES: CN1C=C(C=N1)C2=C(C=C3C(=C2)C4=C(C=N3)N(C(=O)N4C5=C(C=C(C=C5)C#N)F)C)OCSynonyms(17)
DNA-PK-IN-111360628-91-6M35413-Fluoro-4-(7-methoxy-3-methyl-8-(1-methyl-1H-pyrazol-4-yl)-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)benzonitrileSCHEMBL257266orb1738607CHEMBL3672677SCHEMBL29614884YQF2796BDBM155083EX-A8045HY-160096CS-0909561H38682US9000153, 36
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to DNA-PK-IN-11
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