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canSAR1648231
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NAMES
    SMILES
    O=C1C(=C2SCCCS2)CC/C1=C\c1ccc(F)cc1
    InChI
    InChI=1S/C16H15FOS2/c17-13-5-2-11(3-6-13)10-12-4-7-14(15(12)18)16-19-8-1-9-20-16/h2-3,5-6,10H,1,4,7-9H2/b12-10+
    MOLECULAR FORMULA
    C16H15FOS2
    CROSS REFERENCES
    1648231 logo

    canSAR1648231

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 306.05
    AlogP 4.65
    HBond donors 0
    HBond acceptors 1
    Atoms 35
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1648231.