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canSAR747558
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NAMES
    SMILES
    Br.Cc1ccc2n(c1)cc(-c1ccc(/C=N/NC3=NCCCN3)cc1)[n+]2C.[Br-]
    InChI
    InChI=1S/C20H23N6.2BrH/c1-15-4-9-19-25(2)18(14-26(19)13-15)17-7-5-16(6-8-17)12-23-24-20-21-10-3-11-22-20;;/h4-9,12-14H,3,10-11H2,1-2H3,(H2,21,22,24);2*1H/q+1;;/p-1/b23-12+;;
    MOLECULAR FORMULA
    C20H24Br2N6
    CROSS REFERENCES
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    canSAR747558

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 506.04
    AlogP -0.41
    HBond donors 2
    HBond acceptors 6
    Atoms 52
    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 canSAR747558.