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canSAR1141427
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NAMES
    SMILES
    O=C(C(=O)c1cn(Cc2ccc([N+](=O)[O-])cc2)nn1)c1ccccc1
    InChI
    InChI=1S/C17H12N4O4/c22-16(13-4-2-1-3-5-13)17(23)15-11-20(19-18-15)10-12-6-8-14(9-7-12)21(24)25/h1-9,11H,10H2
    MOLECULAR FORMULA
    C17H12N4O4
    CROSS REFERENCES
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    canSAR1141427

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 336.09
    AlogP 2.30
    HBond donors 0
    HBond acceptors 8
    Atoms 37
    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 canSAR1141427.