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canSAR1125807
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NAMES
    SMILES
    Cc1cnc(Nc2ccc(C#N)cc2)nc1Oc1ccc(OCc2ccccc2)cc1
    InChI
    InChI=1S/C25H20N4O2/c1-18-16-27-25(28-21-9-7-19(15-26)8-10-21)29-24(18)31-23-13-11-22(12-14-23)30-17-20-5-3-2-4-6-20/h2-14,16H,17H2,1H3,(H,27,28,29)
    MOLECULAR FORMULA
    C25H20N4O2
    CROSS REFERENCES
    1125807 logo

    canSAR1125807

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 408.16
    AlogP 5.77
    HBond donors 1
    HBond acceptors 6
    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 canSAR1125807.