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canSAR560490
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NAMES
    SMILES
    CNC(=O)c1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(OC(C)C)c1
    InChI
    InChI=1S/C26H33N7O2/c1-18(2)35-22-7-5-6-20(16-22)29-24-23(25(34)27-3)17-28-26(31-24)30-19-8-10-21(11-9-19)33-14-12-32(4)13-15-33/h5-11,16-18H,12-15H2,1-4H3,(H,27,34)(H2,28,29,30,31)
    MOLECULAR FORMULA
    C26H33N7O2
    CROSS REFERENCES
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    canSAR560490

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 475.27
    AlogP 3.86
    HBond donors 3
    HBond acceptors 9
    Atoms 68
    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 canSAR560490.