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Name | MLS000084601 |
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Molecular formula | C17H12ClN7S |
IUPAC name | 3-(benzotriazol-1-ylmethyl)-6-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
Molecular weight | 381.842 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 0 |
XlogP | 3.7 |
Synonyms | 876712-55-9 CHEMBL1420950 STK824330 1-{[6-(4-chlorobenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-1,2,3-benzotriazole BAS 10124236 [ Show all ] |
Inchi Key | AICXERJZAYCHGW-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C17H12ClN7S/c18-12-7-5-11(6-8-12)9-16-22-25-15(20-21-17(25)26-16)10-24-14-4-2-1-3-13(14)19-23-24/h1-8H,9-10H2 |
PubChem CID | 667251 |
ChEMBL | CHEMBL1420950 |
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 |
---|---|---|---|---|---|
6108 | Thyrotropin receptor | P16473 | TSHR | Homo sapiens (Human) | 764 |
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