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canSAR1408599
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NAMES
    SMILES
    CCOC1Oc2ccc(F)cc2C(=O)C1=CNc1ccc(S(=O)(=O)Nc2nnc(C)s2)cc1
    InChI
    InChI=1S/C21H19FN4O5S2/c1-3-30-20-17(19(27)16-10-13(22)4-9-18(16)31-20)11-23-14-5-7-15(8-6-14)33(28,29)26-21-25-24-12(2)32-21/h4-11,20,23H,3H2,1-2H3,(H,25,26)
    MOLECULAR FORMULA
    C21H19FN4O5S2
    CROSS REFERENCES
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    canSAR1408599

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 490.08
    AlogP 3.72
    HBond donors 2
    HBond acceptors 9
    Atoms 52
    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 canSAR1408599.