canSAR1708306
FEATURES
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NAMES
    SMILES
    CCCCCCCCCC[N+](C)(C)CC/C=C1/c2ccccc2Sc2ccc(Cl)cc21.[Br-]
    InChI
    InChI=1S/C28H39ClNS.BrH/c1-4-5-6-7-8-9-10-13-20-30(2,3)21-14-16-24-25-15-11-12-17-27(25)31-28-19-18-23(29)22-26(24)28;/h11-12,15-19,22H,4-10,13-14,20-21H2,1-3H3;1H/q+1;/p-1/b24-16-;
    MOLECULAR FORMULA
    C28H39BrClNS
    CROSS REFERENCES
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    canSAR1708306
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight535.17
    AlogP5.85
    HBond donors0
    HBond acceptors1
    Atoms71
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1708306.