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Name | CHEMBL1682211 |
---|---|
Molecular formula | C27H28N4O4 |
IUPAC name | 1-benzyl-3-[3-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]phenyl]urea |
Molecular weight | 472.545 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 6 |
XlogP | 2.2 |
Synonyms | BDBM50337300 SCHEMBL12878615 1-benzyl-3-(3-(2-(2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethylamino)ethyl)phenyl)urea |
Inchi Key | FNPVKSFPBMSPGW-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C27H28N4O4/c32-23-11-9-21(22-10-12-25(34)31-26(22)23)24(33)17-28-14-13-18-7-4-8-20(15-18)30-27(35)29-16-19-5-2-1-3-6-19/h1-12,15,24,28,32-33H,13-14,16-17H2,(H,31,34)(H2,29,30,35) |
PubChem CID | 44237612 |
ChEMBL | CHEMBL1682211 |
IUPHAR | N/A |
BindingDB | 50337300 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
82821 | Beta-1 adrenergic receptor | P18090 | Adrb1 | Rattus norvegicus (Rat) | 466 |
82822 | Beta-2 adrenergic receptor | Q8K4Z4 | Adrb2 | Cavia porcellus (Guinea pig) | 418 |
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