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canSAR746766
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NAMES
    SMILES
    Br.CC/N=C(\NCC)N/N=C/c1ccc(OCc2cn3cc(C)ccc3[n+]2C)cc1.[Br-]
    InChI
    InChI=1S/C22H29N6O.2BrH/c1-5-23-22(24-6-2)26-25-13-18-8-10-20(11-9-18)29-16-19-15-28-14-17(3)7-12-21(28)27(19)4;;/h7-15H,5-6,16H2,1-4H3,(H2,23,24,26);2*1H/q+1;;/p-1/b25-13+;;
    MOLECULAR FORMULA
    C22H30Br2N6O
    CROSS REFERENCES
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    canSAR746766

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 552.08
    AlogP 0.14
    HBond donors 2
    HBond acceptors 7
    Atoms 61
    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 canSAR746766.