10967/234 - QDB Compounds

QsarDB Repository

Garcia-Sosa, A. T.; Maran, U. Using combined docking, chemical fingerprints, and Bayesian classifiers for the androgen receptor binding activity of the CoMPARA data. Toxicological Sciences 2020.

Compound

ID:56038-89-2
Name:N-(1-Ethylpropyl)-3,4-xylidine
Description:
Labels:eval
CAS:56038-89-2
InChi Code:InChI=1S/C13H21N/c1-5-12(6-2)14-13-8-7-10(3)11(4)9-13/h7-9,12,14H,5-6H2,1-4H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.093594269

Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class)