[3H]darifenacin   Click here for help

GtoPdb Ligand ID: 319

 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 55.56
Molecular weight 426.23
XLogP 4.54
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES NC(=O)C(c1ccccc1)(c1ccccc1)C1CCN(C1)CCc1ccc2c(c1)CCO2
Isomeric SMILES NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2
InChI InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1
InChI Key HXGBXQDTNZMWGS-RUZDIDTESA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-di(phenyl)acetamide
Database Links Click here for help
ChEMBL Ligand CHEMBL1346
DrugCentral Ligand 784
GtoPdb PubChem SID 135651146
PubChem CID 444031
Search Google for chemical match using the InChIKey HXGBXQDTNZMWGS-RUZDIDTESA-N
Search Google for chemicals with the same backbone HXGBXQDTNZMWGS
Search UniChem for chemical match using the InChIKey HXGBXQDTNZMWGS-RUZDIDTESA-N
Search UniChem for chemicals with the same backbone HXGBXQDTNZMWGS