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canSAR921253
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NAMES
    SMILES
    CN1/C(=C/C(=O)Nc2cccs2)c2ccccc2CC1(C)C
    InChI
    InChI=1S/C18H20N2OS/c1-18(2)12-13-7-4-5-8-14(13)15(20(18)3)11-16(21)19-17-9-6-10-22-17/h4-11H,12H2,1-3H3,(H,19,21)/b15-11+
    MOLECULAR FORMULA
    C18H20N2OS
    CROSS REFERENCES
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    canSAR921253

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 312.13
    AlogP 3.99
    HBond donors 1
    HBond acceptors 3
    Atoms 42
    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 canSAR921253.