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canSAR742992
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NAMES
    SMILES
    Br.CSC(=N)N/N=C/c1ccc(OCc2cn3ccccc3[n+]2C)cc1.[Br-]
    InChI
    InChI=1S/C18H20N5OS.2BrH/c1-22-15(12-23-10-4-3-5-17(22)23)13-24-16-8-6-14(7-9-16)11-20-21-18(19)25-2;;/h3-12H,13H2,1-2H3,(H2,19,21);2*1H/q+1;;/p-1/b20-11+;;
    MOLECULAR FORMULA
    C18H21Br2N5OS
    CROSS REFERENCES
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    canSAR742992

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 512.98
    AlogP 0.15
    HBond donors 2
    HBond acceptors 6
    Atoms 48
    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 canSAR742992.