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:	6
	Name:	6-Ethyl-6-(2-thienyl)pyrido[3,2-b]pyrrolo[1,2-d][1,4]oxazepin-7(6H)-one
	Description:	CHEMBL138969, chemical names origin from Pubchem, when ever possible systematic names are provided
	Labels:	oxazepanone, median_value
	CAS:
	InChi Code:	InChI=1S/C17H14N2O2S/c1-2-17(14-8-5-11-22-14)15(20)12-6-4-10-19(12)16-13(21-17)7-3-9-18-16/h3-11H,2H2,1H3

Properties

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

Value	Source or prediction
7.03	experimental value
6.9308	Eq.1: Antiviral binding affinity for NNRTIs (training)