canSAR207998
FEATURES
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NAMES
    SMILES
    CCCCCC(O)CSC1CC(=O)[C@H](C/C=C\CCCC(=O)OC)[C@H]1/C=C/[C@H](O)CCCCC
    InChI
    InChI=1S/C28H48O5S/c1-4-6-10-14-22(29)18-19-25-24(16-12-8-9-13-17-28(32)33-3)26(31)20-27(25)34-21-23(30)15-11-7-5-2/h8,12,18-19,22-25,27,29-30H,4-7,9-11,13-17,20-21H2,1-3H3/b12-8-,19-18+/t22-,23?,24-,25-,27?/m1/s1
    MOLECULAR FORMULA
    C28H48O5S
    CROSS REFERENCES
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    canSAR207998
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight496.32
    AlogP6.02
    HBond donors2
    HBond acceptors5
    Atoms82
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR207998.