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:135080-03-4
Name:CP-100829
Description:
Labels:training
CAS:135080-03-4
InChi Code:InChI=1S/C14H7Cl2FN2O3S/c15-5-1-10(23-4-5)12(20)11-6-2-8(17)7(16)3-9(6)19(13(11)21)14(18)22/h1-4,11H,(H2,18,22)

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value
0.173580257

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