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Name | SHA-68 |
---|---|
Molecular formula | C26H24FN3O3 |
IUPAC name | N-[(4-fluorophenyl)methyl]-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide |
Molecular weight | 445.494 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 3.7 |
Synonyms | N-[(4-Fluorophenyl)methyl]tetrahydro-3-oxo-1,1-diphenyl-3H-oxazolo[3,4-a]pyrazine-7(1H)-carboxamide 847553-89-3 GTPL5813 BCP17377 N-(4-Fluorobenzyl)-3-oxo-1,1-diphenyltetrahydro-1H-oxazolo[3,4-a]pyrazine-7(3H)-carboxamide [ Show all ] |
Inchi Key | SFRQIPRTNYHJHP-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C26H24FN3O3/c27-22-13-11-19(12-14-22)17-28-24(31)29-15-16-30-23(18-29)26(33-25(30)32,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23H,15-18H2,(H,28,31) |
PubChem CID | 11374217 |
ChEMBL | CHEMBL469695 |
IUPHAR | 5813 |
BindingDB | 50443391 |
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 |
---|---|---|---|---|---|
313170 | Neuropeptide S receptor | Q6W5P4 | NPSR1 | Homo sapiens (Human) | 371 |
313171 | Neuropeptide S receptor | Q8BZP8 | Npsr1 | Mus musculus (Mouse) | 371 |
554811 | Neuropeptide S receptor | P0C0L6 | Npsr1 | Rattus norvegicus (Rat) | 372 |
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