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Name | TMQ, 5-TrifluoroMe |
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Molecular formula | C20H22F3NO5 |
IUPAC name | 5-(trifluoromethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol |
Molecular weight | 413.393 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 3 |
XlogP | 3.4 |
Synonyms | BDBM82504 PDSP1_000601 PDSP2_000598 CHEMBL143645 |
Inchi Key | BHLICJAYUSKMQT-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H22F3NO5/c1-27-15-7-10(8-16(28-2)19(15)29-3)6-13-12-9-14(25)18(26)17(20(21,22)23)11(12)4-5-24-13/h7-9,13,24-26H,4-6H2,1-3H3 |
PubChem CID | 15133335 |
ChEMBL | CHEMBL143645 |
IUPHAR | N/A |
BindingDB | 82504 |
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 |
---|---|---|---|---|---|
23835 | Beta-2 adrenergic receptor | Q8K4Z4 | Adrb2 | Cavia porcellus (Guinea pig) | 418 |
23836 | Thromboxane A2 receptor | P21731 | TBXA2R | Homo sapiens (Human) | 343 |
23837 | Thromboxane A2 receptor | P34978 | Tbxa2r | Rattus norvegicus (Rat) | 341 |
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