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canSAR66543
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NAMES
    SMILES
    COc1cc(NC(=O)c2ccc(Br)cc2)ccc1OCCN(C(C)C)C(C)C
    InChI
    InChI=1S/C22H29BrN2O3/c1-15(2)25(16(3)4)12-13-28-20-11-10-19(14-21(20)27-5)24-22(26)17-6-8-18(23)9-7-17/h6-11,14-16H,12-13H2,1-5H3,(H,24,26)
    MOLECULAR FORMULA
    C22H29BrN2O3
    CROSS REFERENCES
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    canSAR66543

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 448.14
    AlogP 5.21
    HBond donors 1
    HBond acceptors 5
    Atoms 57
    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 canSAR66543.