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Name | CHEMBL57031 |
---|---|
Molecular formula | C32H44ClNO9 |
IUPAC name | bis[2-[(2-methylpropan-2-yl)oxy]ethyl] 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate |
Molecular weight | 622.152 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 2 |
XlogP | 5.0 |
Synonyms | 5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid bis(2-tert-butoxyethyl) ester |
Inchi Key | DBTPEBHLKQRHQD-BWKNWUBXSA-N |
Inchi ID | InChI=1S/C32H44ClNO9/c1-21(34-20-25(35)23-9-8-10-24(33)19-23)17-22-11-12-26-27(18-22)43-32(42-26,28(36)38-13-15-40-30(2,3)4)29(37)39-14-16-41-31(5,6)7/h8-12,18-19,21,25,34-35H,13-17,20H2,1-7H3/t21-,25+/m1/s1 |
PubChem CID | 44300474 |
ChEMBL | CHEMBL57031 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
55994 | Beta-3 adrenergic receptor | P26255 | Adrb3 | Rattus norvegicus (Rat) | 400 |
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