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canSAR993075
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NAMES
    SMILES
    COC1c2ccc(C#Cc3cc(Cl)ccc3OCC(=O)O)cc2S(=O)(=O)C1(C)C
    InChI
    InChI=1S/C21H19ClO6S/c1-21(2)20(27-3)16-8-5-13(10-18(16)29(21,25)26)4-6-14-11-15(22)7-9-17(14)28-12-19(23)24/h5,7-11,20H,12H2,1-3H3,(H,23,24)
    MOLECULAR FORMULA
    C21H19ClO6S
    CROSS REFERENCES
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    canSAR993075

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 434.06
    AlogP 3.46
    HBond donors 1
    HBond acceptors 6
    Atoms 48
    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 canSAR993075.