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canSAR1065081
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NAMES
    SMILES
    CC1CCN(C(=O)/C=C/c2ccc3c(c2)OCO3)CC1
    InChI
    InChI=1S/C16H19NO3/c1-12-6-8-17(9-7-12)16(18)5-3-13-2-4-14-15(10-13)20-11-19-14/h2-5,10,12H,6-9,11H2,1H3/b5-3+
    MOLECULAR FORMULA
    C16H19NO3
    CROSS REFERENCES
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    canSAR1065081

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 273.14
    AlogP 2.69
    HBond donors 0
    HBond acceptors 4
    Atoms 39
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1065081.