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canSAR548744
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NAMES
    SMILES
    CNC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1Nc1cccc(O)c1
    InChI
    InChI=1S/C22H24N6O3/c1-23-21(30)19-14-24-22(27-20(19)25-16-3-2-4-18(29)13-16)26-15-5-7-17(8-6-15)28-9-11-31-12-10-28/h2-8,13-14,29H,9-12H2,1H3,(H,23,30)(H2,24,25,26,27)
    MOLECULAR FORMULA
    C22H24N6O3
    CROSS REFERENCES
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    canSAR548744

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 420.19
    AlogP 2.87
    HBond donors 4
    HBond acceptors 9
    Atoms 55
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR548744.