Information card for entry 1557185

Structure parameters

• Formula: C25 H23 F4 N5 O5
• Calculated formula: C25 H23 F4 N5 O5
• SMILES: O=C(Nc1ccc2c(c1)CC[C@]12NC(=O)N(C1=O)CC(=O)N1Cc2c(OC[C@H]1C(F)(F)F)ccc(F)c2)NC
• 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: 10.1492 ± 0.0004 Å
• b: 10.1392 ± 0.0004 Å
• c: 25.2626 ± 0.0011 Å
• α: 96.515 ± 0.001°
• β: 96.515 ± 0.001°
• γ: 107.35°
• Cell volume: 2435.42 ± 0.17 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No