nelivaptan

Ligand id: 2202

Name: nelivaptan

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 134.3
Molecular weight 629.16
XLogP 2.57
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S,4R)-1-[(3R)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
International Nonproprietary Names
INN number INN
8903 nelivaptan
Synonyms
SSR-149,415 | SSR149415
Database Links
BindingDB Ligand 50299343
CAS Registry No. 439687-69-1 (source: Scifinder)
ChEMBL Ligand CHEMBL582857
PubChem CID 9895468
Search Google for chemical match using the InChIKey NJXZWIIMWNEOGJ-WEWKHQNJSA-N
Search Google for chemicals with the same backbone NJXZWIIMWNEOGJ
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Search UniChem for chemical match using the InChIKey NJXZWIIMWNEOGJ-WEWKHQNJSA-N
Search UniChem for chemicals with the same backbone NJXZWIIMWNEOGJ
Wikipedia Nelivaptan