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canSAR168982
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NAMES
    SMILES
    CC(C)(NC1CCCc2c1[nH]c1ccc(Br)cc21)c1ccccc1
    InChI
    InChI=1S/C21H23BrN2/c1-21(2,14-7-4-3-5-8-14)24-19-10-6-9-16-17-13-15(22)11-12-18(17)23-20(16)19/h3-5,7-8,11-13,19,23-24H,6,9-10H2,1-2H3
    MOLECULAR FORMULA
    C21H23BrN2
    CROSS REFERENCES
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    canSAR168982

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 382.10
    AlogP 5.83
    HBond donors 2
    HBond acceptors 2
    Atoms 47
    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 canSAR168982.