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canSAR1015865
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NAMES
    SMILES
    CCCS(=O)(=O)c1ccc(C)c(C#Cc2cc(Cl)ccc2OC(C)C(=O)O)c1
    InChI
    InChI=1S/C21H21ClO5S/c1-4-11-28(25,26)19-9-5-14(2)16(13-19)6-7-17-12-18(22)8-10-20(17)27-15(3)21(23)24/h5,8-10,12-13,15H,4,11H2,1-3H3,(H,23,24)
    MOLECULAR FORMULA
    C21H21ClO5S
    CROSS REFERENCES
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    canSAR1015865

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 420.08
    AlogP 4.08
    HBond donors 1
    HBond acceptors 5
    Atoms 49
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1015865.