LUF5981   Click here for help

GtoPdb Ligand ID: 5607

Synonyms: LUF 5981 | LUF-5981
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 41.57
Molecular weight 353.19
XLogP 6.91
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES C1CCC(CC1)c1nc2c([nH]1)nc(cc2c1ccccc1)c1ccccc1
Isomeric SMILES C1CCC(CC1)c1nc2c([nH]1)nc(cc2c1ccccc1)c1ccccc1
InChI InChI=1S/C24H23N3/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)25-24-22(20)26-23(27-24)19-14-8-3-9-15-19/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2,(H,25,26,27)
InChI Key DXBBMCIVYYJMJC-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-cyclohexyl-5,7-di(phenyl)-1H-imidazo[4,5-b]pyridine
Synonyms Click here for help
LUF 5981 | LUF-5981
Database Links Click here for help
Specialist databases
GPCRdb Ligand LUF5981
Other databases
ChEMBL Ligand CHEMBL219160
GtoPdb PubChem SID 178102241
PubChem CID 16109435
Search Google for chemical match using the InChIKey DXBBMCIVYYJMJC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DXBBMCIVYYJMJC
UniChem Compound Search for chemical match using the InChIKey DXBBMCIVYYJMJC-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey DXBBMCIVYYJMJC-UHFFFAOYSA-N