176988 logo
canSAR176988
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCOc1ccc(NC(=O)c2ccc(C#N)o2)c(N2CCCCC2)c1
    InChI
    InChI=1S/C19H21N3O3/c1-2-24-14-6-8-16(17(12-14)22-10-4-3-5-11-22)21-19(23)18-9-7-15(13-20)25-18/h6-9,12H,2-5,10-11H2,1H3,(H,21,23)
    MOLECULAR FORMULA
    C19H21N3O3
    CROSS REFERENCES
    176988 logo

    canSAR176988

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 339.16
    AlogP 3.79
    HBond donors 1
    HBond acceptors 6
    Atoms 46
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR176988.