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Name | CHEMBL230490 |
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Molecular formula | C27H30Cl2N2O4 |
IUPAC name | N-[(3,4-dichlorophenyl)methyl]-2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]acetamide |
Molecular weight | 517.447 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 5 |
XlogP | 4.3 |
Synonyms | SCHEMBL4260245 BDBM50326547 N-(3,4-dichlorobenzyl)-2-(3-((R)-2-((R)-2-hydroxy-2-(4-hydroxy-3-(hydroxymethyl)phenyl)ethylamino)propyl)phenyl)acetamide |
Inchi Key | AOJZKEWJJYTGIX-QUGAMOGWSA-N |
Inchi ID | InChI=1S/C27H30Cl2N2O4/c1-17(30-15-26(34)21-6-8-25(33)22(13-21)16-32)9-18-3-2-4-19(10-18)12-27(35)31-14-20-5-7-23(28)24(29)11-20/h2-8,10-11,13,17,26,30,32-34H,9,12,14-16H2,1H3,(H,31,35)/t17-,26+/m1/s1 |
PubChem CID | 11214499 |
ChEMBL | CHEMBL230490 |
IUPHAR | N/A |
BindingDB | 50326547 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
10299 | Beta-2 adrenergic receptor | Q8K4Z4 | Adrb2 | Cavia porcellus (Guinea pig) | 418 |
10300 | Beta-2 adrenergic receptor | P07550 | ADRB2 | Homo sapiens (Human) | 413 |
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