canSAR29221
FEATURES
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NAMES
    SMILES
    CCCCCCCCC1CCc2cc(/C(C)=C/c3ccc(C(=O)OCC)cc3)ccc2S1
    InChI
    InChI=1S/C29H38O2S/c1-4-6-7-8-9-10-11-27-18-16-26-21-25(17-19-28(26)32-27)22(3)20-23-12-14-24(15-13-23)29(30)31-5-2/h12-15,17,19-21,27H,4-11,16,18H2,1-3H3/b22-20+
    MOLECULAR FORMULA
    C29H38O2S
    CROSS REFERENCES
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    canSAR29221
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight450.26
    AlogP8.58
    HBond donors0
    HBond acceptors2
    Atoms70
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR29221.