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canSAR34591
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NAMES
    SMILES
    O=C(CN1CCSCC1)N/N=C/c1ccc(Br)s1
    InChI
    InChI=1S/C11H14BrN3OS2/c12-10-2-1-9(18-10)7-13-14-11(16)8-15-3-5-17-6-4-15/h1-2,7H,3-6,8H2,(H,14,16)/b13-7+
    MOLECULAR FORMULA
    C11H14BrN3OS2
    CROSS REFERENCES
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    canSAR34591

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 346.98
    AlogP 2.01
    HBond donors 1
    HBond acceptors 4
    Atoms 32
    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 canSAR34591.