cenicriviroc

Ligand id: 801

Name: cenicriviroc

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 18
Topological polar surface area 104.9
Molecular weight 696.37
XLogP 7.75
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(5E)-8-[4-(2-butoxyethoxy)phenyl]-1-(2-methylpropyl)-N-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]-3,4-dihydro-2H-1-benzazocine-5-carboxamide
International Nonproprietary Names
INN number INN
9294 cenicriviroc
Synonyms
TAK 652 | TAK-652 | TAK652
Database Links
BindingDB Ligand 50184403
CAS Registry No. 497223-25-3 (source: Scifinder)
ChEMBL Ligand CHEMBL2110727
PubChem CID 11285792
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Search UniChem for chemical match using the InChIKey PNDKCRDVVKJPKG-WHERJAGFSA-N
Search UniChem for chemicals with the same backbone PNDKCRDVVKJPKG
Wikipedia Cenicriviroc