canSAR416424
FEATURES
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NAMES
    SMILES
    COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3OC1CC(NC(=O)OCc2ccc(OC3OC(C(=O)O)C(O)C(O)C3O)c(F)c2)C(O)C(C)O1
    InChI
    InChI=1S/C41H42FNO20/c1-14-29(46)19(43-40(56)59-13-15-6-7-20(18(42)8-15)62-39-36(53)34(51)35(52)37(63-39)38(54)55)9-24(60-14)61-22-11-41(57,23(45)12-44)10-17-26(22)33(50)28-27(31(17)48)30(47)16-4-3-5-21(58-2)25(16)32(28)49/h3-8,14,19,22,24,29,34-37,39,44,46,48,50-53,57H,9-13H2,1-2H3,(H,43,56)(H,54,55)/t14?,19?,22-,24?,29?,34?,35?,36?,37?,39?,41-/m0/s1
    MOLECULAR FORMULA
    C41H42FNO20
    CROSS REFERENCES
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    canSAR416424
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight887.23
    AlogP-0.62
    HBond donors10
    HBond acceptors21
    Atoms105
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR416424.