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:	7
	Name:	6-Ethyl-6-(3-fluorophenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7(6H)-one
	Description:	CHEMBL344257, chemical names origin from Pubchem, when ever possible systematic names are provided
	Labels:	oxazepanone, median_value
	CAS:
	InChi Code:	InChI=1S/C20H16FNO2/c1-2-20(14-7-5-8-15(21)13-14)19(23)17-10-6-12-22(17)16-9-3-4-11-18(16)24-20/h3-13H,2H2,1H3

Properties

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

Value	Source or prediction
7	experimental value
6.8974	Eq.1: Antiviral binding affinity for NNRTIs (training)