CYM5181   Click here for help

GtoPdb Ligand ID: 2927

Synonyms: CYM-5181
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 2
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 70.27
Molecular weight 311.13
XLogP 3.26
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CCOc1cc(ccc1OCC)c1onc(n1)c1ccncc1
Isomeric SMILES CCOc1cc(ccc1OCC)c1onc(n1)c1ccncc1
InChI InChI=1S/C17H17N3O3/c1-3-21-14-6-5-13(11-15(14)22-4-2)17-19-16(20-23-17)12-7-9-18-10-8-12/h5-11H,3-4H2,1-2H3
InChI Key MMKXHTDCKLZHIM-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
Synonyms Click here for help
CYM-5181
Database Links Click here for help
Specialist databases
GPCRdb Ligand CYM5181
Other databases
BindingDB Ligand 37115
ChEMBL Ligand CHEMBL1452805
GtoPdb PubChem SID 135650149
PubChem CID 976135
Search Google for chemical match using the InChIKey MMKXHTDCKLZHIM-UHFFFAOYSA-N
Search Google for chemicals with the same backbone MMKXHTDCKLZHIM
UniChem Compound Search for chemical match using the InChIKey MMKXHTDCKLZHIM-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey MMKXHTDCKLZHIM-UHFFFAOYSA-N