Information card for entry 7112512

Structure parameters

• Chemical name: 4-(6-fluoro-5-(5-(2,4,5- trifluorophenylamino)-1,3,4-oxadiazole-2- carboxamido)pyridin-2-yloxy)cyclo- hexanecarboxylic acid
• Formula: C21 H17 F4 N5 O5
• Calculated formula: C21 H17 F4 N5 O5
• SMILES: Fc1c(Nc2oc(nn2)C(=O)Nc2c(F)nc(OC3CCC(CC3)C(=O)O)cc2)cc(F)c(F)c1
• Title of publication: Design and synthesis of a novel series of cyclohexyloxy-pyridyl derivatives as inhibitors of diacylglycerol acyl transferase 1
• Authors of publication: Plowright, Alleyn T.; Barton, Peter; Bennett, Stuart; Birch, Alan M.; Birtles, Susan; Buckett, Linda K.; Butlin, Roger J.; Davies, Robert D. M.; Ertan, Anne; Gutierrez, Pablo Morentin; Kemmitt, Paul D.; Leach, Andrew G.; Svensson, Per H.; Turnbull, Andrew V.; Waring, Michael J.
• Journal of publication: MedChemComm
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 151
• a: 29.7773 ± 0.0014 Å
• b: 6.32 ± 0.0003 Å
• c: 23.2587 ± 0.0011 Å
• α: 90°
• β: 100.671 ± 0.003°
• γ: 90°
• Cell volume: 4301.4 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0924
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No