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Name | 4-(2,4-dimethylphenyl)-5-(thien-2-ylmethyl)-4H-1,2,4-triazole-3-thiol |
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Molecular formula | C15H15N3S2 |
IUPAC name | 4-(2,4-dimethylphenyl)-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione |
Molecular weight | 301.426 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 3.6 |
Synonyms | 4-(2,4-dimethylphenyl)-5-(2-thienylmethyl)-4H-1,2,4-triazole-3-thiol HMS2548B17 AC1LF792 MolPort-002-121-800 ZINC5687721 [ Show all ] |
Inchi Key | AFRSFEXFOGGVHN-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C15H15N3S2/c1-10-5-6-13(11(2)8-10)18-14(16-17-15(18)19)9-12-4-3-7-20-12/h3-8H,9H2,1-2H3,(H,17,19) |
PubChem CID | 748042 |
ChEMBL | CHEMBL1550340 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
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463425 | Parathyroid hormone/parathyroid hormone-related peptide receptor | Q03431 | PTH1R | Homo sapiens (Human) | 593 |
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