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canSAR2021139
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NAMES
    SMILES
    COc1ccc(/C=C/c2ccc3cccc(O)c3n2)cc1Br
    InChI
    InChI=1S/C18H14BrNO2/c1-22-17-10-6-12(11-15(17)19)5-8-14-9-7-13-3-2-4-16(21)18(13)20-14/h2-11,21H,1H3/b8-5+
    MOLECULAR FORMULA
    C18H14BrNO2
    CROSS REFERENCES
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    canSAR2021139

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 355.02
    AlogP 4.88
    HBond donors 1
    HBond acceptors 3
    Atoms 36
    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 canSAR2021139.