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canSAR565544
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NAMES
    SMILES
    CCOc1ccccc1Nc1cc(S(=O)(=O)[O-])c(N)c2c1C(=O)c1ccccc1C2=O
    InChI
    InChI=1S/C22H18N2O6S/c1-2-30-16-10-6-5-9-14(16)24-15-11-17(31(27,28)29)20(23)19-18(15)21(25)12-7-3-4-8-13(12)22(19)26/h3-11,24H,2,23H2,1H3,(H,27,28,29)/p-1
    MOLECULAR FORMULA
    C22H17N2O6S-
    CROSS REFERENCES
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    canSAR565544

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 437.08
    AlogP 3.09
    HBond donors 3
    HBond acceptors 8
    Atoms 48
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR565544.