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canSAR747959
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NAMES
    SMILES
    Br.CCCNC(=N)N/N=C/c1ccc(-c2cn3ccc(C)cc3[n+]2C)cc1.[Br-]
    InChI
    InChI=1S/C20H25N6.2BrH/c1-4-10-22-20(21)24-23-13-16-5-7-17(8-6-16)18-14-26-11-9-15(2)12-19(26)25(18)3;;/h5-9,11-14H,4,10H2,1-3H3,(H3,21,22,24);2*1H/q+1;;/p-1/b23-13+;;
    MOLECULAR FORMULA
    C20H26Br2N6
    CROSS REFERENCES
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    canSAR747959

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 508.06
    AlogP 0.18
    HBond donors 3
    HBond acceptors 6
    Atoms 54
    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 canSAR747959.