canSAR1711973
FEATURES
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NAMES
    SMILES
    CC(C)(C)c1c(SC2C(=O)CC(CCc3ccccc3)(c3ccccc3)OC2=O)sc2ccccc12
    InChI
    InChI=1S/C31H30O3S2/c1-30(2,3)26-23-16-10-11-17-25(23)35-29(26)36-27-24(32)20-31(34-28(27)33,22-14-8-5-9-15-22)19-18-21-12-6-4-7-13-21/h4-17,27H,18-20H2,1-3H3
    MOLECULAR FORMULA
    C31H30O3S2
    CROSS REFERENCES
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    canSAR1711973
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight514.16
    AlogP7.70
    HBond donors0
    HBond acceptors3
    Atoms66
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1711973.