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Name | CHEMBL3416877 |
---|---|
Molecular formula | C21H18ClN3O3 |
IUPAC name | 1'-(6-chloro-1H-indole-3-carbonyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one |
Molecular weight | 395.843 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 2 |
XlogP | 3.3 |
Synonyms | 1'-[(6-chloro-1H-indol-3-yl)carbonyl]spiro[3,1-benzoxazine-4,4'-piperidin]-2(1H)-one BPVSBZYRICTGIY-UHFFFAOYSA-N SCHEMBL4759170 BDBM50077455 |
Inchi Key | BPVSBZYRICTGIY-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C21H18ClN3O3/c22-13-5-6-14-15(12-23-18(14)11-13)19(26)25-9-7-21(8-10-25)16-3-1-2-4-17(16)24-20(27)28-21/h1-6,11-12,23H,7-10H2,(H,24,27) |
PubChem CID | 17757748 |
ChEMBL | CHEMBL3416877 |
IUPHAR | N/A |
BindingDB | 50077455 |
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 |
---|---|---|---|---|---|
442833 | Vasopressin V1a receptor | P37288 | AVPR1A | Homo sapiens (Human) | 418 |
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