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The X-ray crystallographic data of compound 12 bound to the active site of squalene synthase provided an important insight into the binding mode of this alternative template that formed 11-membered ring conformations with an intramolecular hydrogen bond.
Crystal data of compound 4 was given in Table 2.
b % ID/mL data of compound 17 (all ROIs, all time points).
Spectroscopic data of compound 8 is being reported for the first time.
(PDF 2 MB) 13065_2012_549_MOESM4_ESM.cif Additional file 4: Spectroscopic data of compound 6.
Synthesis, purification and experimental data of compound 5 was recently published by us [31].
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The solubility data of compounds in supercritical fluids and the correlation between the experimental solubility data and predicted solubility data are crucial to the development of supercritical technologies.
Data of compounds 1 8 have been discussed on the basis of a model describing the evolution of the βc response for D3h and C2v symmetry groups.
Single-crystal synchrotron X-ray diffraction data of Compounds 2 and 3 were collected at 100 K on a D8 goniostat equipped with a Bruker PHOTON100 CMOS detector at Beamline 11.3.1 at the Advanced Light Source ALSS) in Lawrence Berkeley National Laboratory, using synchrotron radiation tuned to λ = 0.7749 Å.
ChEMBL contains the chemical structures and bioactivity data of compounds with drug-like properties.
The crystallographic data of compounds 8 and 10 are given in Table 2.
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