canSAR2059085
FEATURES
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NAMES
    SMILES
    CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)Oc1ccccc1
    InChI
    InChI=1S/C39H39FN2O5/c1-26(2)37-36(39(46)41-30-14-8-4-9-15-30)35(27-12-6-3-7-13-27)38(28-18-20-29(40)21-19-28)42(37)23-22-31(43)24-32(44)25-34(45)47-33-16-10-5-11-17-33/h3-21,26,31-32,43-44H,22-25H2,1-2H3,(H,41,46)/t31-,32-/m1/s1
    MOLECULAR FORMULA
    C39H39FN2O5
    CROSS REFERENCES
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    canSAR2059085
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight634.28
    AlogP7.83
    HBond donors3
    HBond acceptors7
    Atoms86
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2059085.