dipraglurant   Click here for help

GtoPdb Ligand ID: 6452

Synonyms: ADX48621
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 0
Rotatable bonds 2
Topological polar surface area 30.19
Molecular weight 265.1
XLogP 3.98
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Fc1ccc2n(c1)cc(n2)CCC#Cc1ccccn1
Isomeric SMILES Fc1ccc2n(c1)cc(n2)CCC#Cc1ccccn1
InChI InChI=1S/C16H12FN3/c17-13-8-9-16-19-15(12-20(16)11-13)7-2-1-5-14-6-3-4-10-18-14/h3-4,6,8-12H,2,7H2
InChI Key LZXMUJCJAWVHPZ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-(4-{6-fluoroimidazo[1,2-a]pyridin-2-yl}but-1-yn-1-yl)pyridine
International Nonproprietary Names Click here for help
INN number INN
9180 dipraglurant
Synonyms Click here for help
ADX48621
Database Links Click here for help
Specialist databases
GPCRdb Ligand dipraglurant
Other databases
CAS Registry No. 872363-17-2 (source: Scifinder)
ChEMBL Ligand CHEMBL2346738
GtoPdb PubChem SID 178103068
PubChem CID 44557636
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UniChem Compound Search for chemical match using the InChIKey LZXMUJCJAWVHPZ-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey LZXMUJCJAWVHPZ-UHFFFAOYSA-N
Wikipedia Dipraglurant