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Name | MLS001206870 |
---|---|
Molecular formula | C19H13NO7 |
IUPAC name | [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 2-oxochromene-3-carboxylate |
Molecular weight | 367.313 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 0 |
XlogP | 3.8 |
Synonyms | 2-ketochromene-3-carboxylic acid [2-methoxy-4-[(E)-2-nitrovinyl]phenyl] ester BAS 01220089 Oprea1_730708 2-Oxo-2H-chromene-3-carboxylic acid 2-methoxy-4-(2-nitro-vinyl)-phenyl ester CHEMBL1333737 [ Show all ] |
Inchi Key | AIAOTAFSXSSCRY-CMDGGOBGSA-N |
Inchi ID | InChI=1S/C19H13NO7/c1-25-17-10-12(8-9-20(23)24)6-7-16(17)27-19(22)14-11-13-4-2-3-5-15(13)26-18(14)21/h2-11H,1H3/b9-8+ |
PubChem CID | 1183382 |
ChEMBL | CHEMBL1333737 |
IUPHAR | N/A |
BindingDB | 67326 |
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 |
---|---|---|---|---|---|
6044 | Apelin receptor | P35414 | APLNR | Homo sapiens (Human) | 380 |
6043 | Type-1 angiotensin II receptor | P30556 | AGTR1 | Homo sapiens (Human) | 359 |
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