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canSAR1066322
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NAMES
    SMILES
    COc1ccc(/C=C(\C#N)c2cc(OC)c(OC)c(OC)c2)cc1Br
    InChI
    InChI=1S/C19H18BrNO4/c1-22-16-6-5-12(8-15(16)20)7-14(11-21)13-9-17(23-2)19(25-4)18(10-13)24-3/h5-10H,1-4H3/b14-7+
    MOLECULAR FORMULA
    C19H18BrNO4
    CROSS REFERENCES
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    canSAR1066322

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 403.04
    AlogP 4.55
    HBond donors 0
    HBond acceptors 5
    Atoms 43
    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 canSAR1066322.