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canSAR500281
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NAMES
    SMILES
    O=C(Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1)C1CCSS1
    InChI
    InChI=1S/C18H15BrN4OS2/c19-11-2-1-3-12(8-11)22-17-14-9-13(4-5-15(14)20-10-21-17)23-18(24)16-6-7-25-26-16/h1-5,8-10,16H,6-7H2,(H,23,24)(H,20,21,22)
    MOLECULAR FORMULA
    C18H15BrN4OS2
    CROSS REFERENCES
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    canSAR500281

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 445.99
    AlogP 5.23
    HBond donors 2
    HBond acceptors 5
    Atoms 41
    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 canSAR500281.