463401 logo
canSAR463401
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(C)(C)C(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1
    InChI
    InChI=1S/C21H21N3O/c1-21(2,3)19(25)24-20-22-17(15-10-6-4-7-11-15)14-18(23-20)16-12-8-5-9-13-16/h4-14H,1-3H3,(H,22,23,24,25)
    MOLECULAR FORMULA
    C21H21N3O
    CROSS REFERENCES
    463401 logo

    canSAR463401

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 331.17
    AlogP 4.80
    HBond donors 1
    HBond acceptors 4
    Atoms 46
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR463401.