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: | 203942-49-8 | |
|---|---|---|
| Name: | UK-337312 | |
| Description: | ||
| Labels: | training | |
| CAS: | 203942-49-8 | |
| InChi Code: | InChI=1S/C33H39Cl2F6N2O/c1-42(30(44)24-17-26(32(36,37)38)20-27(18-24)33(39,40)41)21-23(22-7-8-28(34)29(35)19-22)9-13-43-14-10-31(11-15-43,12-16-43)25-5-3-2-4-6-25/h7-8,17-20,23,25H,2-6,9-16,21H2,1H3/q+1/t23-,31?,43?/m1/s1 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.487140822 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |