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: | 94841-17-5 | |
|---|---|---|
| Name: | Spirapril hydrochloride | |
| Description: | ||
| Labels: | eval | |
| CAS: | 94841-17-5 | |
| InChi Code: | InChI=1S/C22H30N2O5S2/c1-3-29-21(28)17(10-9-16-7-5-4-6-8-16)23-15(2)19(25)24-14-22(30-11-12-31-22)13-18(24)20(26)27/h4-8,15,17-18,23H,3,9-14H2,1-2H3,(H,26,27) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.054032356 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |