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canSAR398129
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NAMES
    SMILES
    COc1ccc(Br)cc1-c1nc(CNC[C@@H]2CCN(Cc3ccccc3)C2)co1
    InChI
    InChI=1S/C23H26BrN3O2/c1-28-22-8-7-19(24)11-21(22)23-26-20(16-29-23)13-25-12-18-9-10-27(15-18)14-17-5-3-2-4-6-17/h2-8,11,16,18,25H,9-10,12-15H2,1H3/t18-/m0/s1
    MOLECULAR FORMULA
    C23H26BrN3O2
    CROSS REFERENCES
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    canSAR398129

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 455.12
    AlogP 4.72
    HBond donors 1
    HBond acceptors 5
    Atoms 55
    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 canSAR398129.