Structure

InChI Key BWMISRWJRUSYEX-SZKNIZGXSA-N
Smiles CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12.Cl
InChI
InChI=1S/C21H25N.ClH/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19;/h5-7,9-14H,16-17H2,1-4H3;1H/b9-5+;

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H26ClN
Molecular Weight 327.9
AlogP 4.88
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 3.24
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Mechanism of Action Action Reference
Squalene monooxygenase inhibitor INHIBITOR FDA

Cross References

Resources Reference
ChEBI 77614
ChEMBL CHEMBL1200832
FDA SRS 012C11ZU6G
KEGG C08079
PubChem 5282481
SureChEMBL SCHEMBL36793
ZINC ZINC01530981