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
ChEMBL Ligand CHEMBL219160
GtoPdb PubChem SID 178102241
PubChem CID 16109435
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