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Name | CHEMBL139760 |
---|---|
Molecular formula | C21H20Cl2N2O |
IUPAC name | 1-[4-(13,14-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)piperidin-1-yl]ethanone |
Molecular weight | 387.304 |
Hydrogen bond acceptor | 2 |
Hydrogen bond donor | 0 |
XlogP | 5.1 |
Synonyms | 1-[4-(8,9-Dichloro-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-piperidin-1-yl]-ethanone BDBM50007459 SCHEMBL8878153 5,6-Dihydro-11-(1-acetyl-4-piperidinylidene)-8,9-dichloro-11H-benzo[5,6]cyclohepta[1,2-b]pyridine |
Inchi Key | JMNWUROIQQVCMZ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C21H20Cl2N2O/c1-13(26)25-9-6-14(7-10-25)20-17-12-19(23)18(22)11-16(17)5-4-15-3-2-8-24-21(15)20/h2-3,8,11-12H,4-7,9-10H2,1H3 |
PubChem CID | 14554145 |
ChEMBL | CHEMBL139760 |
IUPHAR | N/A |
BindingDB | 50007459 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
154591 | Histamine H1 receptor | P31390 | Hrh1 | Rattus norvegicus (Rat) | 486 |
154592 | Platelet-activating factor receptor | P25105 | PTAFR | Homo sapiens (Human) | 342 |
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