canSAR856144
FEATURES
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NAMES
    SMILES
    CC(C)=CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(COS(=O)(=O)O)[C@@H](OS(=O)(=O)O)CC[C@@]45C[C@@]35CC[C@]12C
    InChI
    InChI=1S/C30H48O9S2/c1-19(2)15-21(31)16-20(3)22-9-11-28(6)24-8-7-23-26(4,18-38-40(32,33)34)25(39-41(35,36)37)10-12-29(23)17-30(24,29)14-13-27(22,28)5/h15,20,22-25H,7-14,16-18H2,1-6H3,(H,32,33,34)(H,35,36,37)/t20-,22-,23+,24+,25+,26+,27-,28+,29-,30+/m1/s1
    MOLECULAR FORMULA
    C30H48O9S2
    CROSS REFERENCES
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    canSAR856144
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight616.27
    AlogP5.97
    HBond donors2
    HBond acceptors9
    Atoms89
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR856144.