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Ligand

NameCHEMBL454088
Molecular formulaC21H21F3N6OS
IUPAC name4-[4-[2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethyl]piperazin-1-yl]-1,3-dihydrobenzimidazole-2-thione
Molecular weight462.495
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP3.2
SynonymsN/A
Inchi KeyARIXJZBDJAGYBK-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H21F3N6OS/c22-21(23,24)19-25-14-4-2-6-16(18(14)27-19)31-12-11-29-7-9-30(10-8-29)15-5-1-3-13-17(15)28-20(32)26-13/h1-6H,7-12H2,(H,25,27)(H2,26,28,32)
PubChem CID44561221
ChEMBLCHEMBL454088
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
12509Gonadotropin-releasing hormone receptorP30968GNRHRHomo sapiens (Human)328

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