canSAR539946
FEATURES
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NAMES
    SMILES
    CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c(-c2ccccc2)c1C(N)=O.[Na+]
    InChI
    InChI=1S/C27H31FN2O5.Na/c1-16(2)30-22(13-12-20(31)14-21(32)15-23(33)34)24(18-8-10-19(28)11-9-18)25(26(30)27(29)35)17-6-4-3-5-7-17;/h3-11,16,20-21,31-32H,12-15H2,1-2H3,(H2,29,35)(H,33,34);/q;+1/p-1/t20-,21-;/m1./s1
    MOLECULAR FORMULA
    C27H30FN2NaO5
    CROSS REFERENCES
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    canSAR539946
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight504.20
    AlogP-0.17
    HBond donors4
    HBond acceptors7
    Atoms66
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR539946.