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: | 3321-80-0 | |
|---|---|---|
| Name: | N-Methyl-3-piperidyl benzilate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 3321-80-0 | |
| InChi Code: | InChI=1S/C20H23NO3/c1-21-14-8-13-18(15-21)24-19(22)20(23,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,18,23H,8,13-15H2,1H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.331187543 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |