10967/237 - QDB Compounds

QsarDB Repository

Zukić, S.; Maran, U. Modelling of antiproliferative activity measured in HeLa cervical cancer cells in a series of xanthene derivatives. SAR QSAR Environ. Res. 2020, 31, 905-921.

Compound

ID:40
Name:9-(5-bromo-2,3-dimethoxyphenyl)-3,3,6,6-tetramethyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione
Description:
Labels:Neutral
CAS:
InChi Code:InChI=1S/C25H29BrO5/c1-24(2)9-15(27)21-18(11-24)31-19-12-25(3,4)10-16(28)22(19)20(21)14-7-13(26)8-17(29-5)23(14)30-6/h7-8,20H,9-12H2,1-6H3

Properties

pIC50: Antiproliferative activity [cm/s]

ValueSource or prediction
4.61

experimental value

4.87497

Eq.1: QSAR model for antiproliferative activity for HeLa cells (Validation set)