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canSAR1987285
FEATURES
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NAMES
    SMILES
    CC1(C)OC2=C(CC1SCc1ccccc1)C(=O)C(=O)c1ccccc12
    InChI
    InChI=1S/C22H20O3S/c1-22(2)18(26-13-14-8-4-3-5-9-14)12-17-20(24)19(23)15-10-6-7-11-16(15)21(17)25-22/h3-11,18H,12-13H2,1-2H3
    MOLECULAR FORMULA
    C22H20O3S
    CROSS REFERENCES
    1987285 logo

    canSAR1987285

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 364.11
    AlogP 4.66
    HBond donors 0
    HBond acceptors 3
    Atoms 46
    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 canSAR1987285.