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canSAR746327
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NAMES
    SMILES
    NCCCN(Cc1ccccc1)Cc1ccc(Cc2ccc(Br)o2)cc1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C22H25BrN2O.C2HF3O2/c23-22-12-11-21(26-22)15-18-7-9-20(10-8-18)17-25(14-4-13-24)16-19-5-2-1-3-6-19;3-2(4,5)1(6)7/h1-3,5-12H,4,13-17,24H2;(H,6,7)
    MOLECULAR FORMULA
    C24H26BrF3N2O3
    CROSS REFERENCES
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    canSAR746327

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 526.11
    AlogP 5.62
    HBond donors 3
    HBond acceptors 5
    Atoms 59
    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 canSAR746327.