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Name | MLS000569070 |
---|---|
Molecular formula | C18H11NO7 |
IUPAC name | [2-(3-nitrophenyl)-2-oxoethyl] 2-oxochromene-3-carboxylate |
Molecular weight | 353.286 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 0 |
XlogP | 3.2 |
Synonyms | Oprea1_586411 2-ketochromene-3-carboxylic acid [2-keto-2-(3-nitrophenyl)ethyl] ester HMS2553K09 STK388144 BAS 00381914 [ Show all ] |
Inchi Key | DHNJJMVWVXFVMJ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C18H11NO7/c20-15(11-5-3-6-13(8-11)19(23)24)10-25-17(21)14-9-12-4-1-2-7-16(12)26-18(14)22/h1-9H,10H2 |
PubChem CID | 1099676 |
ChEMBL | CHEMBL1535168 |
IUPHAR | N/A |
BindingDB | 67218 |
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 |
---|---|---|---|---|---|
60154 | Apelin receptor | P35414 | APLNR | Homo sapiens (Human) | 380 |
60153 | Type-1 angiotensin II receptor | P30556 | AGTR1 | Homo sapiens (Human) | 359 |
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