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: | 742-20-1 | |
|---|---|---|
| Name: | Cyclopenthiazide | |
| Description: | ||
| Labels: | eval | |
| CAS: | 742-20-1 | |
| InChi Code: | InChI=1S/C13H18ClN3O4S2/c14-9-6-10-12(7-11(9)22(15,18)19)23(20,21)17-13(16-10)5-8-3-1-2-4-8/h6-8,13,16-17H,1-5H2,(H2,15,18,19) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.173566467 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |