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Name | CHEMBL256659 |
---|---|
Molecular formula | C22H23F3N6O2S |
IUPAC name | 8-[3-[[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-2-(trifluoromethyl)-6,7,9,10-tetrahydro-[1,3]oxazolo[4,5-i][3]benzazepine |
Molecular weight | 492.521 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 0 |
XlogP | 3.9 |
Synonyms | BDBM50423589 SCHEMBL4872412 |
Inchi Key | ABWRXTVIPWIMTE-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H23F3N6O2S/c1-13-17(32-12-26-13)19-28-29-21(30(19)2)34-11-3-8-31-9-6-14-4-5-16-18(15(14)7-10-31)33-20(27-16)22(23,24)25/h4-5,12H,3,6-11H2,1-2H3 |
PubChem CID | 11540474 |
ChEMBL | CHEMBL256659 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
1257 | D(2) dopamine receptor | P14416 | DRD2 | Homo sapiens (Human) | 443 |
1258 | D(3) dopamine receptor | P35462 | DRD3 | Homo sapiens (Human) | 400 |
1256 | Histamine H1 receptor | P35367 | HRH1 | Homo sapiens (Human) | 487 |
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