compound 1e [PMID: 2153213]

Ligand id: 2991

Name: compound 1e [PMID: 2153213]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 85.52
Molecular weight 402.21
XLogP 3.61
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3R,5S,6E)-7-[4-(4-fluorophenyl)-1,2-bis(propan-2-yl)-1H-pyrrol-3-yl]-3,5-dihydroxyhept-6-enoate
Database Links
ChEMBL Ligand CHEMBL1205862
PubChem CID 56947035
Search Google for chemical match using the InChIKey JNPGUXGVLNJQSQ-BGGMYYEUSA-M
Search Google for chemicals with the same backbone JNPGUXGVLNJQSQ
Search UniChem for chemical match using the InChIKey JNPGUXGVLNJQSQ-BGGMYYEUSA-M
Search UniChem for chemicals with the same backbone JNPGUXGVLNJQSQ
Comments
ChEMBL represents this compound without the charge.