10967/177 - QDB Compounds

QsarDB Repository

Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Compound

ID:312
Name:(1,2-diphenylethenyl)benzene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Triphenylethylene
Labels:
CAS:58-72-0
InChi Code:InChI=1S/C20H16/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H

Properties

M4.logRBA: Estrogen receptor relative binding affinity as log(RBA)

ValueSource or prediction
-2.78

experimental value

-2.4751

Tab2.Model_4: EDC estrogen receptor binding (Training set)