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canSAR120521
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NAMES
    SMILES
    CN(C[C@H]1C[C@@H]1COc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1)C1CC1
    InChI
    InChI=1S/C22H23BrFNO2/c1-25(18-6-7-18)12-15-10-16(15)13-27-19-8-9-20(21(24)11-19)22(26)14-2-4-17(23)5-3-14/h2-5,8-9,11,15-16,18H,6-7,10,12-13H2,1H3/t15-,16-/m1/s1
    MOLECULAR FORMULA
    C22H23BrFNO2
    CROSS REFERENCES
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    canSAR120521

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 431.09
    AlogP 4.93
    HBond donors 0
    HBond acceptors 3
    Atoms 50
    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 canSAR120521.