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canSAR563058
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NAMES
    SMILES
    CCCCCCCCCC[n+]1ccc(/C=C/c2nc3cc(C)c(C)cc3[nH]2)cc1.[Br-]
    InChI
    InChI=1S/C26H35N3.BrH/c1-4-5-6-7-8-9-10-11-16-29-17-14-23(15-18-29)12-13-26-27-24-19-21(2)22(3)20-25(24)28-26;/h12-15,17-20H,4-11,16H2,1-3H3;1H
    MOLECULAR FORMULA
    C26H36BrN3
    CROSS REFERENCES
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    canSAR563058

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 469.21
    AlogP 3.78
    HBond donors 1
    HBond acceptors 3
    Atoms 66
    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 canSAR563058.