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canSAR742967
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NAMES
    SMILES
    Br.Cc1cccc2n1cc(/C=C/c1ccc(/C=N/NC3=NCCCN3)cc1)[n+]2C.[Br-]
    InChI
    InChI=1S/C22H25N6.2BrH/c1-17-5-3-6-21-27(2)20(16-28(17)21)12-11-18-7-9-19(10-8-18)15-25-26-22-23-13-4-14-24-22;;/h3,5-12,15-16H,4,13-14H2,1-2H3,(H2,23,24,26);2*1H/q+1;;/p-1/b12-11+,25-15+;;
    MOLECULAR FORMULA
    C22H26Br2N6
    CROSS REFERENCES
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    canSAR742967

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 532.06
    AlogP 0.10
    HBond donors 2
    HBond acceptors 6
    Atoms 56
    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 canSAR742967.