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canSAR1268717
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NAMES
    SMILES
    COc1ccccc1C1(CNc2nnc(C)c(C)c2C#N)CCCC1
    InChI
    InChI=1S/C20H24N4O/c1-14-15(2)23-24-19(16(14)12-21)22-13-20(10-6-7-11-20)17-8-4-5-9-18(17)25-3/h4-5,8-9H,6-7,10-11,13H2,1-3H3,(H,22,24)
    MOLECULAR FORMULA
    C20H24N4O
    CROSS REFERENCES
    1268717 logo

    canSAR1268717

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 336.20
    AlogP 3.90
    HBond donors 1
    HBond acceptors 5
    Atoms 49
    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 canSAR1268717.