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canSAR1123167
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NAMES
    SMILES
    COC(=O)CCSC1=C(Sc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)C(=O)c2ccccc2C1=O
    InChI
    InChI=1S/C20H11Cl5O4S2/c1-29-10(26)6-7-30-19-16(27)8-4-2-3-5-9(8)17(28)20(19)31-18-14(24)12(22)11(21)13(23)15(18)25/h2-5H,6-7H2,1H3
    MOLECULAR FORMULA
    C20H11Cl5O4S2
    CROSS REFERENCES
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    canSAR1123167

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 553.85
    AlogP 7.63
    HBond donors 0
    HBond acceptors 4
    Atoms 42
    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 canSAR1123167.