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canSAR742898
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NAMES
    SMILES
    Br.C[n+]1c(-c2ccc(/C=N/NC(=N)N3CCCCC3)cc2)cn2ccccc21.[Br-]
    InChI
    InChI=1S/C21H25N6.2BrH/c1-25-19(16-27-14-6-3-7-20(25)27)18-10-8-17(9-11-18)15-23-24-21(22)26-12-4-2-5-13-26;;/h3,6-11,14-16H,2,4-5,12-13H2,1H3,(H2,22,24);2*1H/q+1;;/p-1/b23-15+;;
    MOLECULAR FORMULA
    C21H26Br2N6
    CROSS REFERENCES
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    canSAR742898

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 520.06
    AlogP 0.36
    HBond donors 2
    HBond acceptors 6
    Atoms 55
    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 canSAR742898.