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canSAR746153
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NAMES
    SMILES
    Br.COc1ccc2n(c1)cc(-c1ccc(/C=N/NC(=N)SC)cc1)[n+]2C.[Br-]
    InChI
    InChI=1S/C18H20N5OS.2BrH/c1-22-16(12-23-11-15(24-2)8-9-17(22)23)14-6-4-13(5-7-14)10-20-21-18(19)25-3;;/h4-12H,1-3H3,(H2,19,21);2*1H/q+1;;/p-1/b20-10+;;
    MOLECULAR FORMULA
    C18H21Br2N5OS
    CROSS REFERENCES
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    canSAR746153

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 512.98
    AlogP 0.24
    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 canSAR746153.