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Name | SMR000008535 |
---|---|
Molecular formula | C21H21N3O3S2 |
IUPAC name | (2E,5E)-3-ethyl-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5-(1-ethylquinolin-2-ylidene)-1,3-oxazolidin-4-one |
Molecular weight | 427.537 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 0 |
XlogP | 4.0 |
Synonyms | CHEMBL1736239 3-ethyl-5-[3-ethyl-5-(1-ethyl(2-hydroquinolylidene))-4-oxo(1,3-oxazolidin-2-yl idene)]-2-thioxo-1,3-thiazolidin-4-one BAS 00295448 (2E,5E)-3-ethyl-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5-(1-ethylquinolin-2-ylidene)-1,3-oxazolidin-4-one MLS000029185 [ Show all ] |
Inchi Key | AFZHBOCOJJHNFN-RGNITQOASA-N |
Inchi ID | InChI=1S/C21H21N3O3S2/c1-4-22-14-10-8-7-9-13(14)11-12-15(22)16-18(25)23(5-2)20(27-16)17-19(26)24(6-3)21(28)29-17/h7-12H,4-6H2,1-3H3/b16-15+,20-17+ |
PubChem CID | 3098236 |
ChEMBL | CHEMBL1736239 |
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 |
---|---|---|---|---|---|
4650 | Thyrotropin receptor | P16473 | TSHR | Homo sapiens (Human) | 764 |
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