compound 1a [PMID: 2153213]

Ligand id: 2987

Name: compound 1a [PMID: 2153213]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 85.52
Molecular weight 408.16
XLogP 4.62
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)-2-methyl-1-phenyl-1H-pyrrol-3-yl]-3,5-dihydroxyhept-6-enoate
Database Links
GtoPdb PubChem SID 135649765
PubChem CID 56947037
Search Google for chemical match using the InChIKey FQMQFMROIGKGDU-LKWCPCFXSA-M
Search Google for chemicals with the same backbone FQMQFMROIGKGDU
Search UniChem for chemical match using the InChIKey FQMQFMROIGKGDU-LKWCPCFXSA-M
Search UniChem for chemicals with the same backbone FQMQFMROIGKGDU