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canSAR746017
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NAMES
    SMILES
    Br.C/N=C(/NC)N/N=C/c1ccc(OCc2cn3c(C)cccc3[n+]2C)cc1.[Br-]
    InChI
    InChI=1S/C20H25N6O.2BrH/c1-15-6-5-7-19-25(4)17(13-26(15)19)14-27-18-10-8-16(9-11-18)12-23-24-20(21-2)22-3;;/h5-13H,14H2,1-4H3,(H2,21,22,24);2*1H/q+1;;/p-1/b23-12+;;
    MOLECULAR FORMULA
    C20H26Br2N6O
    CROSS REFERENCES
    746017 logo

    canSAR746017

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 524.05
    AlogP -0.64
    HBond donors 2
    HBond acceptors 7
    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 canSAR746017.