group E 1682-2106 [PMID:16118363]

Ligand id: 5827

Name: group E 1682-2106 [PMID:16118363]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 135.31
Molecular weight 376.06
XLogP 2.08
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-methyl-2-[(5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Database Links
ChEMBL Ligand CHEMBL1770295
PubChem CID 5322194
Search Google for chemical match using the InChIKey ICRQMQBVDGOOFY-QBFSEMIESA-N
Search Google for chemicals with the same backbone ICRQMQBVDGOOFY
Search UniChem for chemical match using the InChIKey ICRQMQBVDGOOFY-QBFSEMIESA-N
Search UniChem for chemicals with the same backbone ICRQMQBVDGOOFY