144751 logo
canSAR144751
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1ccc(-c2ccccc2)cc1NCc1cnc2nc(N)nc(N)c2c1C
    InChI
    InChI=1S/C22H22N6O/c1-13-16(12-26-21-19(13)20(23)27-22(24)28-21)11-25-17-10-15(8-9-18(17)29-2)14-6-4-3-5-7-14/h3-10,12,25H,11H2,1-2H3,(H4,23,24,26,27,28)
    MOLECULAR FORMULA
    C22H22N6O
    CROSS REFERENCES
    144751 logo

    canSAR144751

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 386.19
    AlogP 3.79
    HBond donors 5
    HBond acceptors 7
    Atoms 51
    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 canSAR144751.