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canSAR746500
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NAMES
    SMILES
    Br.C[n+]1c(-c2ccc(/C=N/NC(=N)N3CCOCC3)cc2)cn2ccccc21.[Br-]
    InChI
    InChI=1S/C20H23N6O.2BrH/c1-24-18(15-26-9-3-2-4-19(24)26)17-7-5-16(6-8-17)14-22-23-20(21)25-10-12-27-13-11-25;;/h2-9,14-15H,10-13H2,1H3,(H2,21,23);2*1H/q+1;;/p-1/b22-14+;;
    MOLECULAR FORMULA
    C20H24Br2N6O
    CROSS REFERENCES
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    canSAR746500

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 522.04
    AlogP -0.80
    HBond donors 2
    HBond acceptors 7
    Atoms 53
    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 canSAR746500.