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canSAR993896
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NAMES
    SMILES
    COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1
    InChI
    InChI=1S/C22H17N3O4S2/c1-29-17-9-7-14(8-10-17)20-15(12-25(23-20)16-5-3-2-4-6-16)11-18-21(28)24(13-19(26)27)22(30)31-18/h2-12H,13H2,1H3,(H,26,27)/b18-11-
    MOLECULAR FORMULA
    C22H17N3O4S2
    CROSS REFERENCES
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    canSAR993896

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 451.07
    AlogP 3.83
    HBond donors 1
    HBond acceptors 7
    Atoms 48
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR993896.