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Name | CHEMBL58327 |
---|---|
Molecular formula | C30H36ClNO11 |
IUPAC name | bis(1-ethoxy-1-oxopropan-2-yl) 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate |
Molecular weight | 622.064 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 2 |
XlogP | 4.7 |
Synonyms | 5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid bis(2-oxo-2-ethoxy-1-methylethyl) ester |
Inchi Key | CJSNUAXCJPOSFZ-NZEVUJRCSA-N |
Inchi ID | InChI=1S/C30H36ClNO11/c1-6-38-26(34)18(4)40-28(36)30(29(37)41-19(5)27(35)39-7-2)42-24-12-11-20(14-25(24)43-30)13-17(3)32-16-23(33)21-9-8-10-22(31)15-21/h8-12,14-15,17-19,23,32-33H,6-7,13,16H2,1-5H3/t17-,18?,19?,23+,30?/m1/s1 |
PubChem CID | 44300272 |
ChEMBL | CHEMBL58327 |
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 |
---|---|---|---|---|---|
43667 | Beta-3 adrenergic receptor | P26255 | Adrb3 | Rattus norvegicus (Rat) | 400 |
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