netoglitazone   Click here for help

GtoPdb Ligand ID: 2707

Synonyms: MCC-555 | MCC555 | RWJ-241947
Compound class: Synthetic organic
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 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 80.7
Molecular weight 381.08
XLogP 4.08
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES O=C1NC(=O)C(S1)Cc1ccc2c(c1)ccc(c2)OCc1ccccc1F
Isomeric SMILES O=C1NC(=O)C(S1)Cc1ccc2c(c1)ccc(c2)OCc1ccccc1F
InChI InChI=1S/C21H16FNO3S/c22-18-4-2-1-3-16(18)12-26-17-8-7-14-9-13(5-6-15(14)11-17)10-19-20(24)23-21(25)27-19/h1-9,11,19H,10,12H2,(H,23,24,25)
InChI Key PKWDZWYVIHVNKS-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-[[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione
International Nonproprietary Names Click here for help
INN number INN
8156 netoglitazone
Synonyms Click here for help
MCC-555 | MCC555 | RWJ-241947
Database Links Click here for help
CAS Registry No. 161600-01-7
ChEBI CHEBI:249594
ChEMBL Ligand CHEMBL93747
GtoPdb PubChem SID 135650709
PubChem CID 204109
Search Google for chemical match using the InChIKey PKWDZWYVIHVNKS-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PKWDZWYVIHVNKS
Search PubMed clinical trials netoglitazone
Search PubMed titles netoglitazone
Search PubMed titles/abstracts netoglitazone
Search UniChem for chemical match using the InChIKey PKWDZWYVIHVNKS-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone PKWDZWYVIHVNKS
SynPHARM 6359 (in complex with Peroxisome proliferator-activated receptor-γ)
Wikipedia Netoglitazone