canSAR870845
FEATURES
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NAMES
    SMILES
    COc1ccc(C#C[C@H](O)[C@H]2CCC3C4CC[C@H]5C[C@H](O)CC[C@]5(C)C4CC[C@@]32C)cc1
    InChI
    InChI=1S/C29H40O3/c1-28-16-14-21(30)18-20(28)7-10-23-24-11-12-26(29(24,2)17-15-25(23)28)27(31)13-6-19-4-8-22(32-3)9-5-19/h4-5,8-9,20-21,23-27,30-31H,7,10-12,14-18H2,1-3H3/t20-,21+,23?,24?,25?,26+,27-,28-,29-/m0/s1
    MOLECULAR FORMULA
    C29H40O3
    CROSS REFERENCES
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    canSAR870845
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight436.30
    AlogP5.43
    HBond donors2
    HBond acceptors3
    Atoms72
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR870845.