Bet-IN-20
4-[8-methoxy-2-methyl-1-[(1R)-1-phenylethyl]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
Molecular Identity
Bet-IN-20
4-[8-methoxy-2-methyl-1-[(1R)-1-phenylethyl]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID: 70664192
2D Structure
Properties
C25H24N4O2
Molecular Formula
412.50
Molecular Weight
g/mol
412.1899
Exact Mass
Da
4.9
XLogP
Drug-like (Lipinski: < 5)
66
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
5
H-Bond Acceptors
614
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C(=NO1)C)C2=C(C=C3C(=C2)N=CC4=C3N(C(=N4)C)C(C)C5=CC=CC=C5)OCIsomeric SMILES
SMILES: CC1=C(C(=NO1)C)C2=C(C=C3C(=C2)N=CC4=C3N(C(=N4)C)[C@H](C)C5=CC=CC=C5)OCSynonyms(10)
BET-IN-20CHEMBL5564703orb2566834SCHEMBL12098992HY-149735CS-0906547T858461300735-76-54-[8-methoxy-2-methyl-1-(1-phenylethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazoleVFI
Data from PubChem (NCBI)
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Drug Network
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