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Name | Opc 21268 |
---|---|
Molecular formula | C26H31N3O4 |
IUPAC name | N-[3-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]propyl]acetamide |
Molecular weight | 449.551 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 2.6 |
Synonyms | N-[3-[4-[[4-(3,4-dihydro-2-oxo-1(2H)-quinolinyl)-1-piperidinyl]carbonyl]phenoxy]propyl]acetamide ACMC-20mu6h CTK0H6673 HY-15009 131631-89-5 [ Show all ] |
Inchi Key | KSNUCNRMDYJBKT-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C26H31N3O4/c1-19(30)27-15-4-18-33-23-10-7-21(8-11-23)26(32)28-16-13-22(14-17-28)29-24-6-3-2-5-20(24)9-12-25(29)31/h2-3,5-8,10-11,22H,4,9,12-18H2,1H3,(H,27,30) |
PubChem CID | 114904 |
ChEMBL | CHEMBL296908 |
IUPHAR | 2196 |
BindingDB | 50029644 |
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 |
---|---|---|---|---|---|
177196 | Oxytocin receptor | P30559 | OXTR | Homo sapiens (Human) | 389 |
177199 | Oxytocin receptor | P70536 | Oxtr | Rattus norvegicus (Rat) | 388 |
177194 | Vasopressin V1a receptor | P37288 | AVPR1A | Homo sapiens (Human) | 418 |
177198 | Vasopressin V1a receptor | P30560 | Avpr1a | Rattus norvegicus (Rat) | 424 |
177197 | Vasopressin V1b receptor | P48974 | Avpr1b | Rattus norvegicus (Rat) | 425 |
177195 | Vasopressin V2 receptor | Q00788 | Avpr2 | Rattus norvegicus (Rat) | 371 |
177200 | Vasopressin V2 receptor | P30518 | AVPR2 | Homo sapiens (Human) | 371 |
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