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canSAR933730
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NAMES
    SMILES
    O=C(O)CN1C(=O)/C(=C\c2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2)SC1=S
    InChI
    InChI=1S/C21H14ClNO4S2/c22-16-8-6-15(7-9-16)17(24)10-5-13-1-3-14(4-2-13)11-18-20(27)23(12-19(25)26)21(28)29-18/h1-11H,12H2,(H,25,26)/b10-5+,18-11+
    MOLECULAR FORMULA
    C21H14ClNO4S2
    CROSS REFERENCES
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    canSAR933730

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 443.01
    AlogP 4.52
    HBond donors 1
    HBond acceptors 5
    Atoms 43
    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 canSAR933730.