compound 3 [PMID: 12470711]

Ligand id: 6364

Name: compound 3 [PMID: 12470711]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 68.39
Molecular weight 295.18
XLogP 3.62
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-(2,2-dimethylpropyl) 2-propyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
Database Links
GtoPdb PubChem SID 178102982
PubChem CID 73755211
Search Google for chemical match using the InChIKey JFOGEVBSXYRAFN-UHFFFAOYSA-N
Search Google for chemicals with the same backbone JFOGEVBSXYRAFN
Search UniChem for chemical match using the InChIKey JFOGEVBSXYRAFN-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone JFOGEVBSXYRAFN