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canSAR1013125
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NAMES
    SMILES
    CCCS(=O)(=O)c1cccc(C#Cc2c(OCC(=O)O)ccc3ccccc23)c1
    InChI
    InChI=1S/C23H20O5S/c1-2-14-29(26,27)19-8-5-6-17(15-19)10-12-21-20-9-4-3-7-18(20)11-13-22(21)28-16-23(24)25/h3-9,11,13,15H,2,14,16H2,1H3,(H,24,25)
    MOLECULAR FORMULA
    C23H20O5S
    CROSS REFERENCES
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    canSAR1013125

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 408.10
    AlogP 3.89
    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 canSAR1013125.