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canSAR349986
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NAMES
    SMILES
    CC(C)c1cc(C(C)C)c(C(=O)CC(SCC(=O)O)C(=O)O)c(C(C)C)c1
    InChI
    InChI=1S/C21H30O5S/c1-11(2)14-7-15(12(3)4)20(16(8-14)13(5)6)17(22)9-18(21(25)26)27-10-19(23)24/h7-8,11-13,18H,9-10H2,1-6H3,(H,23,24)(H,25,26)
    MOLECULAR FORMULA
    C21H30O5S
    CROSS REFERENCES
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    canSAR349986

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 394.18
    AlogP 4.90
    HBond donors 2
    HBond acceptors 5
    Atoms 57
    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 canSAR349986.