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canSAR564530
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NAMES
    SMILES
    Nc1[nH]c[n+](Cc2ccc([N+](=O)[O-])cc2)c2ncnc1-2
    InChI
    InChI=1S/C12H10N6O2/c13-11-10-12(15-6-14-10)17(7-16-11)5-8-1-3-9(4-2-8)18(19)20/h1-4,6-7H,5H2,(H2,13,14,15)/p+1
    MOLECULAR FORMULA
    C12H11N6O2+
    CROSS REFERENCES
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    canSAR564530

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 271.09
    AlogP 0.74
    HBond donors 3
    HBond acceptors 8
    Atoms 31
    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 canSAR564530.