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canSAR1128134
FEATURES
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NAMES
    SMILES
    COc1ccc(-c2cc(CC#N)n[nH]2)cc1
    InChI
    InChI=1S/C12H11N3O/c1-16-11-4-2-9(3-5-11)12-8-10(6-7-13)14-15-12/h2-5,8H,6H2,1H3,(H,14,15)
    MOLECULAR FORMULA
    C12H11N3O
    CROSS REFERENCES
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    canSAR1128134

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 213.09
    AlogP 2.15
    HBond donors 1
    HBond acceptors 4
    Atoms 27
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1128134.