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canSAR1132644
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NAMES
    SMILES
    O=C(Nc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)C1CCN(c2ccncc2)CC1
    InChI
    InChI=1S/C24H24N4O4/c29-24(19-10-14-27(15-11-19)21-8-12-25-13-9-21)26-20-2-1-3-23(16-20)32-17-18-4-6-22(7-5-18)28(30)31/h1-9,12-13,16,19H,10-11,14-15,17H2,(H,26,29)
    MOLECULAR FORMULA
    C24H24N4O4
    CROSS REFERENCES
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    canSAR1132644

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 432.18
    AlogP 4.42
    HBond donors 1
    HBond acceptors 8
    Atoms 56
    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 canSAR1132644.