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Name | MLS001171581 |
---|---|
Molecular formula | C20H25NO5 |
IUPAC name | 1-[4-[2-hydroxy-3-[(2-hydroxy-2-phenylethyl)amino]propoxy]-3-methoxyphenyl]ethanone |
Molecular weight | 359.422 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 1.3 |
Synonyms | 1-[4-[2-hydroxy-3-[(2-hydroxy-2-phenylethyl)amino]propoxy]-3-methoxyphenyl]ethanone;oxalic acid BDBM96778 1-[4-[2-hydroxy-3-[(2-hydroxy-2-phenyl-ethyl)amino]propoxy]-3-methoxy-phenyl]ethanone;oxalic acid ethanedioic acid;1-[3-methoxy-4-[2-oxidanyl-3-[(2-oxidanyl-2-phenyl-ethyl)amino]propoxy]phenyl]ethanone SMR000588077 [ Show all ] |
Inchi Key | AFDOVFBOEGXHJE-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H25NO5/c1-14(22)16-8-9-19(20(10-16)25-2)26-13-17(23)11-21-12-18(24)15-6-4-3-5-7-15/h3-10,17-18,21,23-24H,11-13H2,1-2H3 |
PubChem CID | 4851071 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 96778 |
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 |
---|---|---|---|---|---|
4058 | Trace amine-associated receptor 1 | Q96RJ0 | TAAR1 | Homo sapiens (Human) | 339 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218