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canSAR99089
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NAMES
    SMILES
    CC12C[NH+]3CC(C)(C1)C[N+](Cc1cccc(Br)c1)(C3)C2
    InChI
    InChI=1S/C17H24BrN2/c1-16-8-17(2)10-19(9-16)13-20(11-16,12-17)7-14-4-3-5-15(18)6-14/h3-6H,7-13H2,1-2H3/q+1/p+1
    MOLECULAR FORMULA
    C17H25BrN2+2
    CROSS REFERENCES
    99089 logo

    canSAR99089

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 336.12
    AlogP 2.05
    HBond donors 1
    HBond acceptors 2
    Atoms 45
    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 canSAR99089.