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
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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
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
9180 dipraglurant
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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
Search Google for chemical match using the InChIKey LZXMUJCJAWVHPZ-UHFFFAOYSA-N
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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