compound 29 [PMID: 15686906]

Ligand id: 2995

Name: compound 29 [PMID: 15686906]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 82.69
Molecular weight 455.19
XLogP 6.22
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3R,5S,6E)-7-[2,3-bis(4-fluorophenyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyhept-6-enoic acid
Database Links
ChEMBL Ligand CHEMBL1161644
GtoPdb PubChem SID 135649758
PubChem CID 44392476
Search Google for chemical match using the InChIKey NRLBNECCSXRCMS-CXYUPCIPSA-N
Search Google for chemicals with the same backbone NRLBNECCSXRCMS
Search UniChem for chemical match using the InChIKey NRLBNECCSXRCMS-CXYUPCIPSA-N
Search UniChem for chemicals with the same backbone NRLBNECCSXRCMS