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canSAR34989
FEATURES
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NAMES
    SMILES
    O=C(O)CCSC(CC(=O)O)c1ccccc1CCCCCCCCc1ccccc1
    InChI
    InChI=1S/C26H34O4S/c27-25(28)18-19-31-24(20-26(29)30)23-17-11-10-16-22(23)15-9-4-2-1-3-6-12-21-13-7-5-8-14-21/h5,7-8,10-11,13-14,16-17,24H,1-4,6,9,12,15,18-20H2,(H,27,28)(H,29,30)
    MOLECULAR FORMULA
    C26H34O4S
    CROSS REFERENCES
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    canSAR34989

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 442.22
    AlogP 6.54
    HBond donors 2
    HBond acceptors 4
    Atoms 65
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR34989.