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: | 138729-47-2 | |
|---|---|---|
| Name: | Eszopiclone | |
| Description: | ||
| Labels: | eval | |
| CAS: | 138729-47-2 | |
| InChi Code: | InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.087074511 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |