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: | 13522-19-5 | |
|---|---|---|
| Name: | (2beta,3alpha,5alpha,16beta,17beta)-3-Acetoxy-2,16-di(1-piperidinyl)androstan-17-yl propionate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 13522-19-5 | |
| InChi Code: | InChI=1S/C34H56N2O4/c1-5-31(38)40-32-28(35-16-8-6-9-17-35)21-27-25-13-12-24-20-30(39-23(2)37)29(36-18-10-7-11-19-36)22-34(24,4)26(25)14-15-33(27,32)3/h24-30,32H,5-22H2,1-4H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.057186187 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |