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canSAR1430970
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NAMES
    SMILES
    Br.COc1ccc([C@@H]2CN3CCC[C@H]3c3ccccc32)cc1
    InChI
    InChI=1S/C19H21NO.BrH/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18;/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3;1H/t18-,19-;/m0./s1
    MOLECULAR FORMULA
    C19H22BrNO
    CROSS REFERENCES
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    canSAR1430970

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 359.09
    AlogP 4.56
    HBond donors 0
    HBond acceptors 2
    Atoms 44
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1430970.