canSAR2094444
FEATURES
Loading...
NAMES
    SMILES
    C[C@]12C=CC(=O)C=C1C[C@@H](Sc1ccc3ccccc3c1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12
    InChI
    InChI=1S/C29H30O2S/c1-28-13-11-21(30)16-20(28)17-25(32-22-8-7-18-5-3-4-6-19(18)15-22)27-23-9-10-26(31)29(23,2)14-12-24(27)28/h3-8,11,13,15-16,23-25,27H,9-10,12,14,17H2,1-2H3/t23-,24-,25+,27-,28-,29-/m0/s1
    MOLECULAR FORMULA
    C29H30O2S
    CROSS REFERENCES
    Loading...
    canSAR2094444
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight442.20
    AlogP6.79
    HBond donors0
    HBond acceptors2
    Atoms62
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2094444.