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Ligand

NameCHEMBL452541
Molecular formulaC22H23F3N6OS
IUPAC name4-[2-[4-[1-methyl-2-(trifluoromethyl)benzimidazol-4-yl]piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazole-2-thione
Molecular weight476.522
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP3.2
SynonymsN/A
Inchi KeyBAGWMFYSLXDFTB-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H23F3N6OS/c1-29-15-5-3-6-16(19(15)27-20(29)22(23,24)25)31-10-8-30(9-11-31)12-13-32-17-7-2-4-14-18(17)28-21(33)26-14/h2-7H,8-13H2,1H3,(H2,26,28,33)
PubChem CID44561177
ChEMBLCHEMBL452541
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
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GLASS IDNameUniProtGeneSpeciesLength
18859Gonadotropin-releasing hormone receptorP30968GNRHRHomo sapiens (Human)328

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