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:	8
	Name:	6-ethyl-6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-one
	Description:	CHEMBL329653, chemical names origin from Pubchem, when ever possible systematic names are provided
	Labels:	oxazepanone, median_value
	CAS:
	InChi Code:	InChI=1S/C20H17NO2/c1-2-20(15-9-4-3-5-10-15)19(22)17-12-8-14-21(17)16-11-6-7-13-18(16)23-20/h3-14H,2H2,1H3

Properties

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

Value	Source or prediction
6.72	experimental value
6.5638	Eq.1: Antiviral binding affinity for NNRTIs (validation)