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canSAR393224
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NAMES
    SMILES
    C/N=C(\S)C1c2cc(C#N)ccc2OC(C)(C)C1O
    InChI
    InChI=1S/C14H16N2O2S/c1-14(2)12(17)11(13(19)16-3)9-6-8(7-15)4-5-10(9)18-14/h4-6,11-12,17H,1-3H3,(H,16,19)
    MOLECULAR FORMULA
    C14H16N2O2S
    CROSS REFERENCES
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    canSAR393224

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 276.09
    AlogP 2.13
    HBond donors 1
    HBond acceptors 4
    Atoms 35
    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 canSAR393224.