compound 26 [PMID: 16190743]

Ligand id: 2929

Name: compound 26 [PMID: 16190743]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 79.46
Molecular weight 391.19
XLogP 6.22
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid
Synonyms
1,2,4-oxadiazole_based compound 26 | Merck SIP agonist
Database Links
BindingDB Ligand 22209
ChEMBL Ligand CHEMBL194419
PubChem CID 10430549
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Search UniChem for chemical match using the InChIKey SHQNRSGKLNMHOS-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone SHQNRSGKLNMHOS