161992 logo
canSAR161992
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(COc1ccc(C(=O)O)cc1)COc1ccc(S(=O)(=O)CCCCCc2ccccc2)cc1
    InChI
    InChI=1S/C27H28O7S/c28-23(19-33-24-12-10-22(11-13-24)27(29)30)20-34-25-14-16-26(17-15-25)35(31,32)18-6-2-5-9-21-7-3-1-4-8-21/h1,3-4,7-8,10-17H,2,5-6,9,18-20H2,(H,29,30)
    MOLECULAR FORMULA
    C27H28O7S
    CROSS REFERENCES
    161992 logo

    canSAR161992

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 496.16
    AlogP 4.60
    HBond donors 1
    HBond acceptors 7
    Atoms 63
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR161992.