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canSAR1648739
FEATURES
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NAMES
    SMILES
    COc1ccc(CNC(=O)c2ccc(CS(=O)(=O)c3ccccc3OC)o2)cc1
    InChI
    InChI=1S/C21H21NO6S/c1-26-16-9-7-15(8-10-16)13-22-21(23)19-12-11-17(28-19)14-29(24,25)20-6-4-3-5-18(20)27-2/h3-12H,13-14H2,1-2H3,(H,22,23)
    MOLECULAR FORMULA
    C21H21NO6S
    CROSS REFERENCES
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    canSAR1648739

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 415.11
    AlogP 3.20
    HBond donors 1
    HBond acceptors 7
    Atoms 50
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1648739.