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Ligand

Name39696-48-5
Molecular formulaC9H9N3S
IUPAC name2-methyl-5-phenyl-1H-1,2,4-triazole-3-thione
Molecular weight191.252
Hydrogen bond acceptor1
Hydrogen bond donor1
XlogP1.6
Synonyms2-methyl-5-phenyl-2,4-dihydro-[1,2,4]triazole-3-thione
CHEMBL85530
SCHEMBL11333361
Inchi KeyCBNSLHGHYGHNIJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C9H9N3S/c1-12-9(13)10-8(11-12)7-5-3-2-4-6-7/h2-6H,1H3,(H,10,11,13)
PubChem CID10726383
ChEMBLCHEMBL85530
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
38044C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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