Ask-120067
N-[5-[[5-chloro-4-(naphthalen-2-ylamino)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide
Molecular Identity
Ask-120067
N-[5-[[5-chloro-4-(naphthalen-2-ylamino)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide
PubChem CID: 121371196
2D Structure
Properties
C29H32ClN7O2
Molecular Formula
546.10
Molecular Weight
g/mol
545.2306
Exact Mass
Da
5.7
XLogP
Above Lipinski threshold
94.7
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
8
H-Bond Acceptors
789
Complexity
SMILES
Canonical SMILES
SMILES: CN(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=C(C(=N2)NC3=CC4=CC=CC=C4C=C3)Cl)OCIsomeric SMILES
SMILES: CN(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=C(C(=N2)NC3=CC4=CC=CC=C4C=C3)Cl)OCSynonyms(20)
1934259-00-3ASK-120067PRJ2UA27T7RefChem:1077285limertinibASK120067N-(5-((5-Chloro-4-(naphthalen-2-ylamino)pyrimidin-2-yl)amino)-2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxyphenyl)acrylamideN-[5-[[5-chloro-4-(naphthalen-2-ylamino)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamideC29H32ClN7O2orb1694220CHEMBL6068536SCHEMBL17792773GTPL14195GLXC-27333CCB120067
Data from PubChem (NCBI)
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