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canSAR562525
FEATURES
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NAMES
    SMILES
    C=CS(=O)(=O)c1cccc(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)c1
    InChI
    InChI=1S/C22H16N2O7S2/c1-2-32(27,28)13-7-5-6-12(10-13)24-16-11-17(33(29,30)31)20(23)19-18(16)21(25)14-8-3-4-9-15(14)22(19)26/h2-11,24H,1,23H2,(H,29,30,31)/p-1
    MOLECULAR FORMULA
    C22H15N2O7S2-
    CROSS REFERENCES
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    canSAR562525

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 483.03
    AlogP 2.61
    HBond donors 3
    HBond acceptors 9
    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 canSAR562525.