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Name | Azepan-1-yl-(8-ethyl-4-hydroxy-quinolin-3-yl)-methanone |
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Molecular formula | C18H22N2O2 |
IUPAC name | 3-(azepane-1-carbonyl)-8-ethyl-1H-quinolin-4-one |
Molecular weight | 298.386 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 3.2 |
Synonyms | AEHSOWPYNHBSFZ-UHFFFAOYSA-N MLS000033165 Azepan-1-yl(8-ethyl-4-hydroxyquinolin-3-yl) methanone 3-(azepane-1-carbonyl)-8-ethyl-1H-quinolin-4-one CHEMBL1325659 [ Show all ] |
Inchi Key | AEHSOWPYNHBSFZ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C18H22N2O2/c1-2-13-8-7-9-14-16(13)19-12-15(17(14)21)18(22)20-10-5-3-4-6-11-20/h7-9,12H,2-6,10-11H2,1H3,(H,19,21) |
PubChem CID | 647559 |
ChEMBL | CHEMBL1325659 |
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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3477 | Thyrotropin receptor | P16473 | TSHR | Homo sapiens (Human) | 764 |
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