compound 29f [PMID: 17560788]

Ligand id: 2959

Name: compound 29f [PMID: 17560788]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 14
Topological polar surface area 154.75
Molecular weight 538.21
XLogP 2.83
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[({5-[(3R,5R)-6-carboxylato-3,5-dihydroxyhexyl]-1-ethyl-4-(4-fluorophenyl)-3-methyl-1H-pyrrol-2-yl}formamido)methyl]benzoate
Database Links
ChEMBL Ligand CHEMBL1207350
GtoPdb PubChem SID 135649793
PubChem CID 56947057
Search Google for chemical match using the InChIKey MFLMXRSHJVIMRF-DHIUTWEWSA-L
Search Google for chemicals with the same backbone MFLMXRSHJVIMRF
Search UniChem for chemical match using the InChIKey MFLMXRSHJVIMRF-DHIUTWEWSA-L
Search UniChem for chemicals with the same backbone MFLMXRSHJVIMRF