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Name | MLS001140057 |
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Molecular formula | C21H21NO6 |
IUPAC name | [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate |
Molecular weight | 383.4 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 3.7 |
Synonyms | ZINC23074466 5-methoxy-3-methyl-2-benzofurancarboxylic acid [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] ester HMS3008P24 AKOS001448789 MolPort-004-668-818 [ Show all ] |
Inchi Key | CRYCPJOEPBZGDD-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C21H21NO6/c1-13-16-10-15(25-2)8-9-18(16)28-20(13)21(24)27-12-19(23)22-11-14-6-4-5-7-17(14)26-3/h4-10H,11-12H2,1-3H3,(H,22,23) |
PubChem CID | 24686216 |
ChEMBL | CHEMBL1531065 |
IUPHAR | N/A |
BindingDB | 96923 |
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 |
---|---|---|---|---|---|
49238 | Trace amine-associated receptor 1 | Q96RJ0 | TAAR1 | Homo sapiens (Human) | 339 |
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