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: | 199171-88-5 | |
|---|---|---|
| Name: | CP-401387 | |
| Description: | ||
| Labels: | training | |
| CAS: | 199171-88-5 | |
| InChi Code: | InChI=1S/C23H29N3O2/c1-2-20-19-9-8-17(23(15-24)12-10-16(11-13-23)22(27)28)14-21(19)26(25-20)18-6-4-3-5-7-18/h8-9,14,16,18H,2-7,10-13H2,1H3,(H,27,28)/t16-,23- |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.375306022 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |