canSAR741940
FEATURES
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NAMES
    SMILES
    Br.CCCC/N=C(/NCCCC)N/N=C/c1ccc(-c2cn3ccc(C)cc3[n+]2C)cc1.[Br-]
    InChI
    InChI=1S/C25H35N6.2BrH/c1-5-7-14-26-25(27-15-8-6-2)29-28-18-21-9-11-22(12-10-21)23-19-31-16-13-20(3)17-24(31)30(23)4;;/h9-13,16-19H,5-8,14-15H2,1-4H3,(H2,26,27,29);2*1H/q+1;;/p-1/b28-18+;;
    MOLECULAR FORMULA
    C25H36Br2N6
    CROSS REFERENCES
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    canSAR741940
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight578.14
    AlogP1.79
    HBond donors2
    HBond acceptors6
    Atoms69
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR741940.