canSAR160416
FEATURES
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NAMES
    SMILES
    Cc1cc(SC2=C(O)OC(CCc3cccc(O)c3)(c3ccccc3)CC2=O)c(C(C)(C)C)cc1CO
    InChI
    InChI=1S/C31H34O5S/c1-20-15-27(25(30(2,3)4)17-22(20)19-32)37-28-26(34)18-31(36-29(28)35,23-10-6-5-7-11-23)14-13-21-9-8-12-24(33)16-21/h5-12,15-17,32-33,35H,13-14,18-19H2,1-4H3
    MOLECULAR FORMULA
    C31H34O5S
    CROSS REFERENCES
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    canSAR160416
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight518.21
    AlogP6.83
    HBond donors3
    HBond acceptors5
    Atoms71
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR160416.