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: | 71609-19-3 | |
|---|---|---|
| Name: | Trifluomeprazine 2-butenedioate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 71609-19-3 | |
| InChi Code: | InChI=1S/C19H21F3N2S/c1-13(11-23(2)3)12-24-15-6-4-5-7-17(15)25-18-9-8-14(10-16(18)24)19(20,21)22/h4-10,13H,11-12H2,1-3H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.074332393 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |