Garcia-Sosa, A. T.; Maran, U. Combined Naïve Bayesian, chemical fingerprints, and molecular docking classifiers to model and predict androgen receptor binding activity data for environmentally- and health-sensitive substances. Int. J. Mol. Sci. 2021, 22, 6695.

Compound

	ID:	38051-02-4
	Name:	1-[2-({[5-Diethylamino)-2-{[4-(dimethylsulfamoyl)phenyl]diazenyl}phenyl]sulfonyl}amino)ethyl]pyridinium chloride
	Description:
	Labels:	eval
	CAS:	38051-02-4
	InChi Code:	InChI=1S/C25H33N6O4S2/c1-5-31(6-2)22-12-15-24(28-27-21-10-13-23(14-11-21)37(34,35)29(3)4)25(20-22)36(32,33)26-16-19-30-17-8-7-9-18-30/h7-15,17-18,20,26H,5-6,16,19H2,1-4H3/q+1

Properties

BindingClass: Activity in Androgen Receptor

Value	Source or prediction
0	experimental value
0	Procedure_13: Multivariate Logistic Regression Model (Evaluation set)