cromakalim

Ligand Id: 2413
Ligand name cromakalim

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 73.56
Molecular weight 286.13
XLogP 1.04
No. Lipinski's rules broken 0

Molecular properties generated using the CDK


Classification
Compound class Synthetic organic
IUPAC Name
3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)chroman-6-carbonitrile
International Nonproprietary Names
INN number INN
6221 cromakalim
Synonyms
Cromakalin
Levcromakalim
Database Links
CAS Registry No. 94470-67-4 (source: Scifinder)
ChEMBL Ligand CHEMBL49035
PubChem CID 443423
Search Google for chemical match using the InChIKey TVZCRIROJQEVOT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone TVZCRIROJQEVOT
Search PubMed clinical trials cromakalim
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Wikipedia Cromakalim
ZINC ZINC00001224
Comments
The INN-assigned compound cromakalim is a racemic mixture of two enantiomers. The structure shown here does not specify stereochemistry and represents the mixture.