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Name | CHEMBL536747 |
---|---|
Molecular formula | C35H45F2N3 |
IUPAC name | 1-[3-(2-fluoro-6-phenylphenyl)propyl]-4-[2-(4-fluorophenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine |
Molecular weight | 545.763 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 0 |
XlogP | 7.5 |
Synonyms | BDBM50203996 (+/-)-1-[3-(3-fluorobiphenyl-2-yl)propyl]-4-[2-(4-fluorophenyl)-2-(1-isopropylpiperidin-4-yl)ethyl]piperazine trihydrochloride CHEMBL1188561 |
Inchi Key | DHUKBDYVZDFTNL-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C35H45F2N3/c1-27(2)40-20-17-30(18-21-40)34(29-13-15-31(36)16-14-29)26-39-24-22-38(23-25-39)19-7-11-33-32(10-6-12-35(33)37)28-8-4-3-5-9-28/h3-6,8-10,12-16,27,30,34H,7,11,17-26H2,1-2H3 |
PubChem CID | 44423378 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50203996 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
60387 | D(2) dopamine receptor | P61169 | Drd2 | Rattus norvegicus (Rat) | 444 |
60386 | Delta-type opioid receptor | P33533 | Oprd1 | Rattus norvegicus (Rat) | 372 |
60385 | Histamine H1 receptor | P31390 | Hrh1 | Rattus norvegicus (Rat) | 486 |
459774 | Melanocortin receptor 4 | P32245 | MC4R | Homo sapiens (Human) | 332 |
60388 | Mu-type opioid receptor | P33535 | Oprm1 | Rattus norvegicus (Rat) | 398 |
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