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canSAR1015342
FEATURES
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NAMES
    SMILES
    CCCS(=O)(=O)c1cccc(C#Cc2c(OCC(=O)O)cccc2-c2ccccc2)c1
    InChI
    InChI=1S/C25H22O5S/c1-2-16-31(28,29)21-11-6-8-19(17-21)14-15-23-22(20-9-4-3-5-10-20)12-7-13-24(23)30-18-25(26)27/h3-13,17H,2,16,18H2,1H3,(H,26,27)
    MOLECULAR FORMULA
    C25H22O5S
    CROSS REFERENCES
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    canSAR1015342

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 434.12
    AlogP 4.40
    HBond donors 1
    HBond acceptors 5
    Atoms 53
    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 canSAR1015342.