canSAR1632131
FEATURES
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NAMES
    SMILES
    CN(C)/C=C(\C#N)C(=O)Nc1ccc(O)cc1F
    InChI
    InChI=1S/C12H12FN3O2/c1-16(2)7-8(6-14)12(18)15-11-4-3-9(17)5-10(11)13/h3-5,7,17H,1-2H3,(H,15,18)/b8-7+
    MOLECULAR FORMULA
    C12H12FN3O2
    CROSS REFERENCES
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    canSAR1632131
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight249.09
    AlogP1.44
    HBond donors2
    HBond acceptors5
    Atoms30
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1632131.