Tulp, I.; Tamm, T.; Karelson, G.; Dobchev, D.; Martin, D.; Tämm, K.; Savchenko, D.; Jänes, J.; Härk, E.; Kreegipuu, A.; Karelson, M. QSAR for relative binding affinity to estrogen receptor. Q13-418a-0021. Molcode Ltd., 2009.
Compound
| ID: | 47 | |
|---|---|---|
| Name: | Benzene, 1-chloro-2-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]- | |
| Description: | ||
| Labels: | ||
| CAS: | 789-02-6 | |
| InChi Code: | InChI=1S/C14H9Cl5/c15-10-7-5-9(6-8-10)13(14(17,18)19)11-3-1-2-4-12(11)16/h1-8,13H |
Properties
logER-RBA: Estrogen receptor binding in rat uterine cytosol [%]
| Value | Source or prediction |
|---|---|
| -2.85 |
experimental value |
| -1.77 |
QSAR: Model for estrogen receptor relative binding affinity (Training set) |