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canSAR504087
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NAMES
    SMILES
    CC(/C=C/C=C/c1ccccc1)=C1/SC(=S)N(CC(=O)O)C1=O
    InChI
    InChI=1S/C17H15NO3S2/c1-12(7-5-6-10-13-8-3-2-4-9-13)15-16(21)18(11-14(19)20)17(22)23-15/h2-10H,11H2,1H3,(H,19,20)/b7-5+,10-6+,15-12-
    MOLECULAR FORMULA
    C17H15NO3S2
    CROSS REFERENCES
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    canSAR504087

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 345.05
    AlogP 3.47
    HBond donors 1
    HBond acceptors 4
    Atoms 38
    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 canSAR504087.