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canSAR1094425
FEATURES
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NAMES
    SMILES
    COc1ccc(CNC(=O)/C(C#N)=C/c2ccc[nH]2)cc1
    InChI
    InChI=1S/C16H15N3O2/c1-21-15-6-4-12(5-7-15)11-19-16(20)13(10-17)9-14-3-2-8-18-14/h2-9,18H,11H2,1H3,(H,19,20)/b13-9+
    MOLECULAR FORMULA
    C16H15N3O2
    CROSS REFERENCES
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    canSAR1094425

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 281.12
    AlogP 2.25
    HBond donors 2
    HBond acceptors 5
    Atoms 36
    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 canSAR1094425.