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canSAR1113193
FEATURES
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NAMES
    SMILES
    CCCCOC(=O)CCSC1=C(Sc2ccc(O)cc2)C(=O)c2ccccc2C1=O
    InChI
    InChI=1S/C23H22O5S2/c1-2-3-13-28-19(25)12-14-29-22-20(26)17-6-4-5-7-18(17)21(27)23(22)30-16-10-8-15(24)9-11-16/h4-11,24H,2-3,12-14H2,1H3
    MOLECULAR FORMULA
    C23H22O5S2
    CROSS REFERENCES
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    canSAR1113193

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 442.09
    AlogP 5.24
    HBond donors 1
    HBond acceptors 5
    Atoms 52
    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 canSAR1113193.