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: | 95847-70-4 | |
|---|---|---|
| Name: | Ipsapirone | |
| Description: | ||
| Labels: | eval | |
| CAS: | 95847-70-4 | |
| InChi Code: | InChI=1S/C19H23N5O3S/c25-18-16-6-1-2-7-17(16)28(26,27)24(18)11-4-3-10-22-12-14-23(15-13-22)19-20-8-5-9-21-19/h1-2,5-9H,3-4,10-15H2 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.102183045 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |