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canSAR1085595
FEATURES
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NAMES
    SMILES
    COc1cccc2c1OCC(/C=C1\SC(=S)N(CC(=O)O)C1=O)=C2
    InChI
    InChI=1S/C16H13NO5S2/c1-21-11-4-2-3-10-5-9(8-22-14(10)11)6-12-15(20)17(7-13(18)19)16(23)24-12/h2-6H,7-8H2,1H3,(H,18,19)/b12-6-
    MOLECULAR FORMULA
    C16H13NO5S2
    CROSS REFERENCES
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    canSAR1085595

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 363.02
    AlogP 2.30
    HBond donors 1
    HBond acceptors 6
    Atoms 37
    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 canSAR1085595.