BIOA68A-SOR-O-to-C=O: Novel In-Silico Designed Chemical Entity from Quantum Bio Scout

BIOA68A-SOR-O-to-C=O, also referred to as BIO_68a, is a novel research-stage chemical entity generated through the Quantum Bio Scout in-silico drug discovery and chemical optimization platform developed by Sungil Oh. This dataset provides a concise public summary, chemical structure image, and SDF structure file for the designed compound. BIOA68A-SOR-O-to-C=O was developed from a sorafenib-inspired scaffold and features an O-to-C=O transformation, resulting in a distinct chemical structure prioritized through computational profiling. The included annotations are computational predictions only and do not represent experimentally validated biological activity. Experimental validation data may be added in future versions. The deposited files and annotations were created by Sungil Oh as part of the independent Quantum Bio Scout project. Sungil Oh is the rights holder of this deposited dataset. Commercial use requires prior written permission.