Information card for entry 1557186

Structure parameters

• Formula: C15 H14 N4 O2
• Calculated formula: C15 H14 N4 O2
• SMILES: O=C1NC(=O)N[C@]21c1ccc(c3cn(nc3)C)cc1CC2
• 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: 5.8178 ± 0.0003 Å
• b: 16.9835 ± 0.001 Å
• c: 28.2863 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2794.9 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No