197031 logo
canSAR197031
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1cc2c(cc1S)O[C@@H](C[C@H](c1ccc3c(c1)OCO3)C(C)O)C2
    InChI
    InChI=1S/C20H22O5S/c1-11(21)15(12-3-4-16-18(6-12)24-10-23-16)8-14-5-13-7-19(22-2)20(26)9-17(13)25-14/h3-4,6-7,9,11,14-15,21,26H,5,8,10H2,1-2H3/t11?,14-,15+/m1/s1
    MOLECULAR FORMULA
    C20H22O5S
    CROSS REFERENCES
    197031 logo

    canSAR197031

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 374.12
    AlogP 3.57
    HBond donors 1
    HBond acceptors 5
    Atoms 48
    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 canSAR197031.