canSAR2163879
FEATURES
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NAMES
    SMILES
    CCOC(=O)/C=C/c1cc(O)c2c(c1)[C@@H](C(=O)OCC)[C@@H](c1ccc(O)c(O)c1)O2
    InChI
    InChI=1S/C22H22O8/c1-3-28-18(26)8-5-12-9-14-19(22(27)29-4-2)20(30-21(14)17(25)10-12)13-6-7-15(23)16(24)11-13/h5-11,19-20,23-25H,3-4H2,1-2H3/b8-5+/t19-,20-/m1/s1
    MOLECULAR FORMULA
    C22H22O8
    CROSS REFERENCES
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    canSAR2163879
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight414.13
    AlogP3.16
    HBond donors3
    HBond acceptors8
    Atoms52
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2163879.