compound 24 [PMID: 16451050]

Ligand id: 7361

Name: compound 24 [PMID: 16451050]

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 44.81
Molecular weight 433.27
XLogP 5.49
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2R)-1-(phenylmethyl)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)pyrrolidine-2-carboxamide
Synonyms
Banyu Compound-24 | C-24
Database Links
CAS Registry No. 475150-69-7 (source: Scifinder)
ChEMBL Ligand CHEMBL201945
PubChem CID 10296561
RCSB PDB Ligand 0NN
Search Google for chemical match using the InChIKey MAKMQGKJURAJEN-RUZDIDTESA-N
Search Google for chemicals with the same backbone MAKMQGKJURAJEN
Search UniChem for chemical match using the InChIKey MAKMQGKJURAJEN-RUZDIDTESA-N
Search UniChem for chemicals with the same backbone MAKMQGKJURAJEN
Comments
compound 24 [PMID: 16451050] is a rationally designed NOP receptor antagonist [2].