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: | 911-65-9 | |
|---|---|---|
| Name: | Etonitazene | |
| Description: | ||
| Labels: | eval | |
| CAS: | 911-65-9 | |
| InChi Code: | InChI=1S/C22H28N4O3/c1-4-24(5-2)13-14-25-21-12-9-18(26(27)28)16-20(21)23-22(25)15-17-7-10-19(11-8-17)29-6-3/h7-12,16H,4-6,13-15H2,1-3H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.234240695 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |