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Name | CHEMBL61201 |
---|---|
Molecular formula | C28H32ClNO11 |
IUPAC name | bis(2-ethoxy-2-oxoethyl) 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate |
Molecular weight | 594.01 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 2 |
XlogP | 3.9 |
Synonyms | 5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid bis(2-oxo-2-ethoxyethyl) ester |
Inchi Key | CSHDSXPBHMSYNW-UTKZUKDTSA-N |
Inchi ID | InChI=1S/C28H32ClNO11/c1-4-36-24(32)15-38-26(34)28(27(35)39-16-25(33)37-5-2)40-22-10-9-18(12-23(22)41-28)11-17(3)30-14-21(31)19-7-6-8-20(29)13-19/h6-10,12-13,17,21,30-31H,4-5,11,14-16H2,1-3H3/t17-,21+/m1/s1 |
PubChem CID | 44300273 |
ChEMBL | CHEMBL61201 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
49462 | Beta-3 adrenergic receptor | P26255 | Adrb3 | Rattus norvegicus (Rat) | 400 |
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