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canSAR1955581
FEATURES
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NAMES
    SMILES
    COc1ccc(C=C2SC(O)=NC2=O)cc1S(=O)(=O)O
    InChI
    InChI=1S/C11H9NO6S2/c1-18-7-3-2-6(5-9(7)20(15,16)17)4-8-10(13)12-11(14)19-8/h2-5H,1H3,(H,12,13,14)(H,15,16,17)
    MOLECULAR FORMULA
    C11H9NO6S2
    CROSS REFERENCES
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    canSAR1955581

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 314.99
    AlogP 1.47
    HBond donors 2
    HBond acceptors 7
    Atoms 29
    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 canSAR1955581.