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Name | CHEMBL3596481 |
---|---|
Molecular formula | C26H26F3NO2 |
IUPAC name | 4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]phenol |
Molecular weight | 441.494 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 5.5 |
Synonyms | BDBM50108629 SCHEMBL13404135 |
Inchi Key | ZESAIGASSACQRV-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C26H26F3NO2/c27-26(28,29)23-15-19(14-21(16-23)20-6-8-24(31)9-7-20)17-32-18-25(10-12-30-13-11-25)22-4-2-1-3-5-22/h1-9,14-16,30-31H,10-13,17-18H2 |
PubChem CID | 24784193 |
ChEMBL | CHEMBL3596481 |
IUPHAR | N/A |
BindingDB | 50108629 |
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 |
---|---|---|---|---|---|
515480 | Substance-P receptor | Q5DUB1 | TACR1 | Meriones unguiculatus (Mongolian jird) | 407 |
570554 | Substance-P receptor | P14600 | Tacr1 | Rattus norvegicus (Rat) | 407 |
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