Viira, B.; Garcia-Sosa, A. T.; Maran, U. Chemical Structure and Correlation Analysis of HIV-1 NNRT and NRT Inhibitors and Database-Curated, Published Inhibition Constants with Chemical Structure in Diverse Datasets. J. Mol. Graph. Model. 2017, 76, 205-223.

Compound

	ID:	3
	Name:	6-Ethyl-6-(2-thienyl)pyrrolo[2,1-d][1,5]benzoxazepin-7(6H)-one
	Description:	CHEMBL141223, chemical names origin from Pubchem, when ever possible systematic names are provided
	Labels:	oxazepanone, median_value
	CAS:
	InChi Code:	InChI=1S/C18H15NO2S/c1-2-18(16-10-6-12-22-16)17(20)14-8-5-11-19(14)13-7-3-4-9-15(13)21-18/h3-12H,2H2,1H3

Properties

pKi: Antiviral binding affinity equilibrium constant as p(Ki) [-log(mol/L)]

Value	Source or prediction
7.52	experimental value
6.8733	Eq.1: Antiviral binding affinity for NNRTIs (validation)