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canSAR1619429
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NAMES
    SMILES
    COc1cccc(/C=C/c2ccc3ccccc3[n+]2C)c1OC
    InChI
    InChI=1S/C20H20NO2/c1-21-17(13-11-15-7-4-5-9-18(15)21)14-12-16-8-6-10-19(22-2)20(16)23-3/h4-14H,1-3H3/q+1/b14-12+
    MOLECULAR FORMULA
    C20H20NO2+
    CROSS REFERENCES
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    canSAR1619429

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 306.15
    AlogP 3.85
    HBond donors 0
    HBond acceptors 3
    Atoms 43
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1619429.