10967/236 - QDB Compounds

QsarDB Repository

Piir, G.; Sild, S.; Maran, U. Binary and multi-class classification for androgen receptor agonists, antagonists and binders. Chemosphere 2021, 262, 128313.

Compound

ID:e3783
Name:4-{2-Oxo-2-[3-(trifluoromethyl)phenyl]ethyl}benzonitrile
Description:
Labels:
CAS:146653-56-7
InChi Code:InChI=1S/C16H10F3NO/c17-16(18,19)14-3-1-2-13(9-14)15(21)8-11-4-6-12(10-20)7-5-11/h1-7,9H,8H2

Properties

Agonists: Activity in AR agonist pathway

ValueSource or prediction
inactive

experimental value

inactive

Agonists_model: Agonist model (Evaluation set)