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canSAR1444958
FEATURES
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NAMES
    SMILES
    CCOc1cc(CNc2ccc(N3CCOCC3)cc2)cc(Br)c1OCC
    InChI
    InChI=1S/C21H27BrN2O3/c1-3-26-20-14-16(13-19(22)21(20)27-4-2)15-23-17-5-7-18(8-6-17)24-9-11-25-12-10-24/h5-8,13-14,23H,3-4,9-12,15H2,1-2H3
    MOLECULAR FORMULA
    C21H27BrN2O3
    CROSS REFERENCES
    1444958 logo

    canSAR1444958

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 434.12
    AlogP 4.70
    HBond donors 1
    HBond acceptors 5
    Atoms 54
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1444958.