Information card for entry 7246639

Structure parameters

• Formula: C19 H15 Cl2 N5 O
• Calculated formula: C19 H15 Cl2 N5 O
• Title of publication: Identification of ARUK2002821 as an isoform-selective PI5P4Kα inhibitor
• Authors of publication: Willems, Henriëtte M. G.; Edwards, Simon; Boffey, Helen K.; Chawner, Stephen J.; Green, Christopher; Romero, Tamara; Winpenny, David; Skidmore, John; Clarke, Jonathan H.; Andrews, Stephen P.
• Journal of publication: RSC Medicinal Chemistry
• Year of publication: 2023
• a: 11.3629 ± 0.0003 Å
• b: 7.1919 ± 0.0002 Å
• c: 22.2901 ± 0.0006 Å
• α: 90°
• β: 101.206 ± 0.0012°
• γ: 90°
• Cell volume: 1786.84 ± 0.08 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No