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: | 57470-78-7 | |
|---|---|---|
| Name: | Celiprolol hydrochloride | |
| Description: | ||
| Labels: | eval | |
| CAS: | 57470-78-7 | |
| InChi Code: | InChI=1S/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.098550028 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |