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canSAR1766839
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NAMES
    SMILES
    CCO/C(O)=C(\C#N)c1cnc2ccccc2n1
    InChI
    InChI=1S/C13H11N3O2/c1-2-18-13(17)9(7-14)12-8-15-10-5-3-4-6-11(10)16-12/h3-6,8,17H,2H2,1H3/b13-9+
    MOLECULAR FORMULA
    C13H11N3O2
    CROSS REFERENCES
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    canSAR1766839

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 241.09
    AlogP 2.42
    HBond donors 1
    HBond acceptors 5
    Atoms 29
    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 canSAR1766839.