Information card for entry 1557183

Structure parameters

• Formula: C26 H28 N4 O5
• Calculated formula: C26 H28 N4 O5
• SMILES: O=C(N1[C@@H](CCc2c(cccc2)C1)C)CN1C(=O)O[C@]2(C1=O)c1c(cc(NC(=O)NC)cc1)CC2
• Title of publication: Discovery of Highly Potent, Selective, and Orally Efficacious p300/CBP Histone Acetyltransferases Inhibitors.
• Authors of publication: Yang, Yaxi; Zhang, Rukang; Li, Zhaojun; Mei, Lianghe; Wan, Shili; Ding, Hong; Chen, Zhifeng; Xing, Jing; Feng, Huijin; Han, Jie; Jiang, Hualiang; Zheng, Mingyue; Luo, Cheng; Zhou, Bing
• Journal of publication: Journal of medicinal chemistry
• Year of publication: 2020
• a: 11.7728 ± 0.0011 Å
• b: 11.7728 ± 0.0011 Å
• c: 17.1159 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2372.2 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No