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: | 34381-68-5 | |
|---|---|---|
| Name: | Acebutolol hydrochloride | |
| Description: | ||
| Labels: | eval | |
| CAS: | 34381-68-5 | |
| InChi Code: | InChI=1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.038986667 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |