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canSAR746436
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NAMES
    SMILES
    Br.Cc1ccc2n(c1)cc(COc1ccc(/C=N/NC(=N)N3CCCC3)cc1)[n+]2C.[Br-]
    InChI
    InChI=1S/C22H27N6O.2BrH/c1-17-5-10-21-26(2)19(15-28(21)14-17)16-29-20-8-6-18(7-9-20)13-24-25-22(23)27-11-3-4-12-27;;/h5-10,13-15H,3-4,11-12,16H2,1-2H3,(H2,23,25);2*1H/q+1;;/p-1/b24-13+;;
    MOLECULAR FORMULA
    C22H28Br2N6O
    CROSS REFERENCES
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    canSAR746436

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 550.07
    AlogP 0.19
    HBond donors 2
    HBond acceptors 7
    Atoms 59
    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 canSAR746436.