Information card for entry 1557184

Structure parameters

• Formula: C13 H15 N3 O5
• Calculated formula: C13 H15 N3 O5
• SMILES: O=C(Nc1ccc2[C@]3(OC(=O)NC3=O)CCc2c1)NC.O
• 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: 8.4194 ± 0.0002 Å
• b: 8.5433 ± 0.0002 Å
• c: 19.1641 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1378.46 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0256
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No