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:	11
	Name:	1-(5-bromopyridin-2-yl)-3-[2-(7,9-difluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)ethyl]thiourea
	Description:	CHEMBL316514, chemical names origin from Pubchem, when ever possible systematic names are provided
	Labels:	piperazinone, median_value
	CAS:
	InChi Code:	InChI=1S/C19H14BrF2N5OS/c20-11-3-4-16(24-10-11)25-19(29)23-5-7-27-15-9-12(21)8-13(22)17(15)26-6-1-2-14(26)18(27)28/h1-4,6,8-10H,5,7H2,(H2,23,24,25,29)

Properties

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

Value	Source or prediction
7	experimental value
6.8344	Eq.1: Antiviral binding affinity for NNRTIs (training)