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canSAR74767
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NAMES
    SMILES
    CCc1nn(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)/c(=N/C(=O)c2cccc(Br)c2)s1
    InChI
    InChI=1S/C25H20BrN7OS/c1-2-22-30-33(25(35-22)27-24(34)18-6-5-7-19(26)14-18)15-16-10-12-17(13-11-16)20-8-3-4-9-21(20)23-28-31-32-29-23/h3-14H,2,15H2,1H3,(H,28,29,31,32)/b27-25-
    MOLECULAR FORMULA
    C25H20BrN7OS
    CROSS REFERENCES
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    canSAR74767

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 545.06
    AlogP 4.91
    HBond donors 1
    HBond acceptors 8
    Atoms 55
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR74767.