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: | 537-12-2 | |
|---|---|---|
| Name: | Diperodon hydrochloride | |
| Description: | ||
| Labels: | eval | |
| CAS: | 537-12-2 | |
| InChi Code: | InChI=1S/C22H27N3O4/c26-21(23-18-10-4-1-5-11-18)28-17-20(16-25-14-8-3-9-15-25)29-22(27)24-19-12-6-2-7-13-19/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,23,26)(H,24,27) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.047576166 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |