canSAR539106
FEATURES
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NAMES
    SMILES
    Cc1cc(C)c(OCC(O)C[C@@H](O)CC(=O)[O-])c(C(c2ccc(F)cc2)c2cccc(C(F)(F)F)c2)c1.[Na+]
    InChI
    InChI=1S/C28H28F4O5.Na/c1-16-10-17(2)27(37-15-23(34)13-22(33)14-25(35)36)24(11-16)26(18-6-8-21(29)9-7-18)19-4-3-5-20(12-19)28(30,31)32;/h3-12,22-23,26,33-34H,13-15H2,1-2H3,(H,35,36);/q;+1/p-1/t22-,23?,26?;/m1./s1
    MOLECULAR FORMULA
    C28H27F4NaO5
    CROSS REFERENCES
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    canSAR539106
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight542.17
    AlogP1.28
    HBond donors2
    HBond acceptors5
    Atoms65
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR539106.