canSAR2064778
FEATURES
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NAMES
    SMILES
    CCCC[n+]1cn(CCOc2ccccc2OCC)c2ccccc21.[Br-]
    InChI
    InChI=1S/C21H27N2O2.BrH/c1-3-5-14-22-17-23(19-11-7-6-10-18(19)22)15-16-25-21-13-9-8-12-20(21)24-4-2;/h6-13,17H,3-5,14-16H2,1-2H3;1H/q+1;/p-1
    MOLECULAR FORMULA
    C21H27BrN2O2
    CROSS REFERENCES
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    canSAR2064778
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight418.13
    AlogP1.21
    HBond donors0
    HBond acceptors4
    Atoms53
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2064778.