COOH   

GtoPdb Ligand ID: 2715

Synonyms: LS-191838
Compound class: Synthetic organic
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 71.55
Molecular weight 429.19
XLogP 6.13
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES CCCc1cc(ccc1OCCc1cc2c([nH]1)ccc(c2)CC(=O)O)Oc1ccccc1
Isomeric SMILES CCCc1cc(ccc1OCCc1cc2c([nH]1)ccc(c2)CC(=O)O)Oc1ccccc1
InChI InChI=1S/C27H27NO4/c1-2-6-20-18-24(32-23-7-4-3-5-8-23)10-12-26(20)31-14-13-22-17-21-15-19(16-27(29)30)9-11-25(21)28-22/h3-5,7-12,15,17-18,28H,2,6,13-14,16H2,1H3,(H,29,30)
InChI Key DFFOSEJNFZUOSK-UHFFFAOYSA-N
Selectivity at nuclear hormone receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
Peroxisome proliferator-activated receptor-γ ? Agonist Full agonist - - - 1-2
[1-2]