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canSAR385502
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NAMES
    SMILES
    Cc1cccc(-c2ccc(S(=O)(=O)[C@@H]3CCOC[C@]3(O)C(=O)NO)cc2)c1
    InChI
    InChI=1S/C19H21NO6S/c1-13-3-2-4-15(11-13)14-5-7-16(8-6-14)27(24,25)17-9-10-26-12-19(17,22)18(21)20-23/h2-8,11,17,22-23H,9-10,12H2,1H3,(H,20,21)/t17-,19-/m1/s1
    MOLECULAR FORMULA
    C19H21NO6S
    CROSS REFERENCES
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    canSAR385502

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 391.11
    AlogP 1.46
    HBond donors 3
    HBond acceptors 7
    Atoms 48
    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 canSAR385502.