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Name | CHEMBL141432 |
---|---|
Molecular formula | C20H21ClN2O |
IUPAC name | N-[(3Z)-3-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)propyl]-N-methylacetamide |
Molecular weight | 340.851 |
Hydrogen bond acceptor | 2 |
Hydrogen bond donor | 0 |
XlogP | 3.5 |
Synonyms | N-[3-[[(Z)-8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin]-11-ylidene]propyl]-N-methylacetamide BDBM50007474 N-[3-(8-Chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-propyl]-N-methyl-acetamide(Z isomer) |
Inchi Key | JHOJSIPGICNRRG-SWNXQHNESA-N |
Inchi ID | InChI=1S/C20H21ClN2O/c1-14(24)23(2)12-4-6-19-18-10-9-17(21)13-16(18)8-7-15-5-3-11-22-20(15)19/h3,5-6,9-11,13H,4,7-8,12H2,1-2H3/b19-6- |
PubChem CID | 44361141 |
ChEMBL | CHEMBL141432 |
IUPHAR | N/A |
BindingDB | 50007474 |
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 |
---|---|---|---|---|---|
151178 | Histamine H1 receptor | P31390 | Hrh1 | Rattus norvegicus (Rat) | 486 |
151179 | Platelet-activating factor receptor | P25105 | PTAFR | Homo sapiens (Human) | 342 |
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