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canSAR1596093
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NAMES
    SMILES
    COc1c(O)ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)c1[N+](=O)[O-]
    InChI
    InChI=1S/C17H12N4O4/c1-25-16-14(22)7-6-10(15(16)21(23)24)8-11(9-18)17-19-12-4-2-3-5-13(12)20-17/h2-8,22H,1H3,(H,19,20)/b11-8+
    MOLECULAR FORMULA
    C17H12N4O4
    CROSS REFERENCES
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    canSAR1596093

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 336.09
    AlogP 3.25
    HBond donors 2
    HBond acceptors 8
    Atoms 37
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1596093.