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Name | SCHEMBL1279646 |
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Molecular formula | C20H22N6O3 |
IUPAC name | 1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-ethyl-1,2,4-triazolidine-3,5-dione |
Molecular weight | 394.435 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 0 |
XlogP | 2.1 |
Synonyms | CHEMBL3948447 1-benzyl-4-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-2-ethyl-1,2,4-triazolidine-3,5-dione BTLCMQNNBQBXLV-UHFFFAOYSA-N US9247759, 10-91 BDBM211343 |
Inchi Key | BTLCMQNNBQBXLV-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H22N6O3/c1-4-24-19(27)26(20(28)25(24)11-16-8-6-5-7-9-16)17-10-21-23(12-17)13-18-14(2)22-29-15(18)3/h5-10,12H,4,11,13H2,1-3H3 |
PubChem CID | 57422495 |
ChEMBL | CHEMBL3948447 |
IUPHAR | N/A |
BindingDB | 211343 |
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 |
---|---|---|---|---|---|
519853 | Taste receptor type 2 member 8 | Q9NYW2 | TAS2R8 | Homo sapiens (Human) | 309 |
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