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Name | CHEMBL294672 |
---|---|
Molecular formula | C36H32ClNO9 |
IUPAC name | diphenacyl 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate |
Molecular weight | 658.1 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 2 |
XlogP | 6.2 |
Synonyms | 5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid bis(2-oxo-2-phenylethyl) ester |
Inchi Key | BLYKWCDDLIPXGJ-BTYSJIOQSA-N |
Inchi ID | InChI=1S/C36H32ClNO9/c1-23(38-20-29(39)27-13-8-14-28(37)19-27)17-24-15-16-32-33(18-24)47-36(46-32,34(42)44-21-30(40)25-9-4-2-5-10-25)35(43)45-22-31(41)26-11-6-3-7-12-26/h2-16,18-19,23,29,38-39H,17,20-22H2,1H3/t23-,29+/m1/s1 |
PubChem CID | 44300366 |
ChEMBL | CHEMBL294672 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
27107 | Beta-3 adrenergic receptor | P26255 | Adrb3 | Rattus norvegicus (Rat) | 400 |
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