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: | 214535-77-0 | |
|---|---|---|
| Name: | CP-457677 | |
| Description: | ||
| Labels: | training | |
| CAS: | 214535-77-0 | |
| InChi Code: | InChI=1S/C22H21FN2O3/c1-22(2,27)16-7-5-15(6-8-16)14-25-20(26)19-4-3-13-24-21(19)28-18-11-9-17(23)10-12-18/h3-13,27H,14H2,1-2H3,(H,25,26) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.147809521 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |