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canSAR990513
FEATURES
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NAMES
    SMILES
    CCC(CC)C(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1
    InChI
    InChI=1S/C19H18N2O4/c1-3-13(4-2)19(22)15(12-20)11-17-8-9-18(25-17)14-6-5-7-16(10-14)21(23)24/h5-11,13H,3-4H2,1-2H3/b15-11+
    MOLECULAR FORMULA
    C19H18N2O4
    CROSS REFERENCES
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    canSAR990513

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 338.13
    AlogP 4.77
    HBond donors 0
    HBond acceptors 6
    Atoms 43
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR990513.