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Name | MLS000103636 |
---|---|
Molecular formula | C20H17FN4OS |
IUPAC name | 5-[3,4-dihydro-1H-isoquinolin-2-yl-(4-fluorophenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol |
Molecular weight | 380.441 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 4.0 |
Synonyms | AC1NSIU6 MCULE-4875565476 5-[3,4-dihydro-1H-isoquinolin-2-yl-(4-fluorophenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol SMR000017879 F1805-0175 [ Show all ] |
Inchi Key | BFRCUVAYFFBWKT-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H17FN4OS/c21-16-7-5-14(6-8-16)17(18-19(26)25-20(27-18)22-12-23-25)24-10-9-13-3-1-2-4-15(13)11-24/h1-8,12,17,26H,9-11H2 |
PubChem CID | 5310397 |
ChEMBL | CHEMBL1589687 |
IUPHAR | N/A |
BindingDB | 96581 |
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 |
---|---|---|---|---|---|
22577 | Thyrotropin receptor | P16473 | TSHR | Homo sapiens (Human) | 764 |
22576 | Trace amine-associated receptor 1 | Q96RJ0 | TAAR1 | Homo sapiens (Human) | 339 |
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