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canSAR1529392
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NAMES
    SMILES
    COc1cc(CNC(C)(C)CO)cc(Br)c1OCc1ccc(Cl)cc1
    InChI
    InChI=1S/C19H23BrClNO3/c1-19(2,12-23)22-10-14-8-16(20)18(17(9-14)24-3)25-11-13-4-6-15(21)7-5-13/h4-9,22-23H,10-12H2,1-3H3
    MOLECULAR FORMULA
    C19H23BrClNO3
    CROSS REFERENCES
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    canSAR1529392

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 427.05
    AlogP 4.55
    HBond donors 2
    HBond acceptors 4
    Atoms 48
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1529392.