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canSAR2088396
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NAMES
    SMILES
    C[C@H]1C[C@H]2CC[C@H]3OC(=O)C([C@@H]1Sc1ccccc1)[C@@]23O
    InChI
    InChI=1S/C17H20O3S/c1-10-9-11-7-8-13-17(11,19)14(16(18)20-13)15(10)21-12-5-3-2-4-6-12/h2-6,10-11,13-15,19H,7-9H2,1H3/t10-,11+,13+,14?,15+,17+/m0/s1
    MOLECULAR FORMULA
    C17H20O3S
    CROSS REFERENCES
    2088396 logo

    canSAR2088396

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 304.11
    AlogP 2.87
    HBond donors 1
    HBond acceptors 3
    Atoms 41
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2088396.