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canSAR660073
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NAMES
    SMILES
    CCCCC(CCCC)c1cc[n+](CCCCCCCCCCCC[n+]2ccc(C(CCCC)CCCC)c(C)c2)cc1C
    InChI
    InChI=1S/C42H74N2/c1-7-11-25-39(26-12-8-2)41-29-33-43(35-37(41)5)31-23-21-19-17-15-16-18-20-22-24-32-44-34-30-42(38(6)36-44)40(27-13-9-3)28-14-10-4/h29-30,33-36,39-40H,7-28,31-32H2,1-6H3/q+2
    MOLECULAR FORMULA
    C42H74N2+2
    CROSS REFERENCES
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    canSAR660073

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 606.58
    AlogP 12.41
    HBond donors 0
    HBond acceptors 2
    Atoms 118
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR660073.