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canSAR1646441
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NAMES
    SMILES
    c1cc2c3cnc(Nc4ccc(NC5CCNCC5)nn4)nc3n(C3CCCC3)c2cn1
    InChI
    InChI=1S/C23H27N9/c1-2-4-16(3-1)32-19-14-25-12-9-17(19)18-13-26-23(29-22(18)32)28-21-6-5-20(30-31-21)27-15-7-10-24-11-8-15/h5-6,9,12-16,24H,1-4,7-8,10-11H2,(H,27,30)(H,26,28,29,31)
    MOLECULAR FORMULA
    C23H27N9
    CROSS REFERENCES
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    canSAR1646441

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 429.24
    AlogP 3.79
    HBond donors 3
    HBond acceptors 9
    Atoms 59
    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 canSAR1646441.