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:109293-98-3
Name:Diflufenzopyr-sodium
Description:
Labels:eval
CAS:109293-98-3
InChi Code:InChI=1S/C15H12F2N4O3/c1-8(13-12(14(22)23)3-2-4-18-13)20-21-15(24)19-11-6-9(16)5-10(17)7-11/h2-8H,1H3,(H,19,24)(H,22,23)

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value
0.066730759

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