cromakalim   Click here for help

GtoPdb Ligand ID: 2413

Synonyms: cromakalin
Compound class: Synthetic organic
Comment: The INN-assigned compound cromakalim is a mixture of enantiomers (Click here to view the related PubChem records). The structure shown here does not specify stereochemistry and represents the mixture.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 73.56
Molecular weight 286.13
XLogP 1.28
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES N#Cc1ccc2c(c1)C(N1CCCC1=O)C(C(O2)(C)C)O
Isomeric SMILES N#Cc1ccc2c(c1)C(N1CCCC1=O)C(C(O2)(C)C)O
InChI InChI=1S/C16H18N2O3/c1-16(2)15(20)14(18-7-3-4-13(18)19)11-8-10(9-17)5-6-12(11)21-16/h5-6,8,14-15,20H,3-4,7H2,1-2H3
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
6221 cromakalim
Synonyms Click here for help
Database Links Click here for help
CAS Registry No. 94470-67-4 (source: Scifinder)
ChEMBL Ligand CHEMBL49035
GtoPdb PubChem SID 135650138
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
Search PubMed titles cromakalim
Search PubMed titles/abstracts cromakalim
UniChem Compound Search for chemical match using the InChIKey TVZCRIROJQEVOT-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey TVZCRIROJQEVOT-UHFFFAOYSA-N
Wikipedia Cromakalim