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Name | SMR000002621 |
---|---|
Molecular formula | C24H32N4O3S |
IUPAC name | 2-[[5-[(2,3-dimethylphenoxy)methyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide |
Molecular weight | 456.605 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 0 |
XlogP | 4.3 |
Synonyms | 2-[5-(2,3-Dimethyl-phenoxymethyl)-4-furan-2-ylmethyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N,N-diisopropyl-acetamide HMS2456B03 AKOS000699053 CHEMBL1566562 2-[[5-[(2,3-dimethylphenoxy)methyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide [ Show all ] |
Inchi Key | AHHFCAUYDSBGNI-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C24H32N4O3S/c1-16(2)28(17(3)4)23(29)15-32-24-26-25-22(27(24)13-20-10-8-12-30-20)14-31-21-11-7-9-18(5)19(21)6/h7-12,16-17H,13-15H2,1-6H3 |
PubChem CID | 652491 |
ChEMBL | CHEMBL1566562 |
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 |
---|---|---|---|---|---|
5539 | Thyrotropin receptor | P16473 | TSHR | Homo sapiens (Human) | 764 |
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