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canSAR99331
FEATURES
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NAMES
    SMILES
    CCCCc1ccc(C(=O)CC(SCC(=O)O)C(=O)O)cc1
    InChI
    InChI=1S/C16H20O5S/c1-2-3-4-11-5-7-12(8-6-11)13(17)9-14(16(20)21)22-10-15(18)19/h5-8,14H,2-4,9-10H2,1H3,(H,18,19)(H,20,21)
    MOLECULAR FORMULA
    C16H20O5S
    CROSS REFERENCES
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    canSAR99331

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 324.10
    AlogP 2.87
    HBond donors 2
    HBond acceptors 5
    Atoms 42
    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 canSAR99331.