lixivaptan

Ligand id: 2238

Name: lixivaptan

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 54.34
Molecular weight 473.13
XLogP 6.65
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[3-chloro-4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]-5-fluoro-2-methylbenzamide
International Nonproprietary Names
INN number INN
8006 lixivaptan
Synonyms
VPA-985 | VPA985 | WAY-VPA-985
Database Links
BindingDB Ligand 50065115
CAS Registry No. 168079-32-1 (source: Scifinder)
ChEMBL Ligand CHEMBL49429
PubChem CID 172997
Search Google for chemical match using the InChIKey PPHTXRNHTVLQED-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PPHTXRNHTVLQED
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Search UniChem for chemical match using the InChIKey PPHTXRNHTVLQED-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone PPHTXRNHTVLQED
Wikipedia Lixivaptan