canSAR2171002
FEATURES
Loading...
NAMES
    SMILES
    CCOc1ccc(S(=O)(=O)Nc2cc(SCC(=O)OC)c(NS(=O)(=O)c3ccc(OCC)cc3)c3ccccc23)cc1
    InChI
    InChI=1S/C29H30N2O8S3/c1-4-38-20-10-14-22(15-11-20)41(33,34)30-26-18-27(40-19-28(32)37-3)29(25-9-7-6-8-24(25)26)31-42(35,36)23-16-12-21(13-17-23)39-5-2/h6-18,30-31H,4-5,19H2,1-3H3
    MOLECULAR FORMULA
    C29H30N2O8S3
    CROSS REFERENCES
    Loading...
    canSAR2171002
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight630.12
    AlogP5.50
    HBond donors2
    HBond acceptors10
    Atoms72
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2171002.