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Name | CHEMBL293071 |
---|---|
Molecular formula | C38H36ClNO7 |
IUPAC name | bis[(E)-3-phenylprop-2-enyl] 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate |
Molecular weight | 654.156 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 2 |
XlogP | 7.6 |
Synonyms | 5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid bis-trans-cinnamyl ester |
Inchi Key | FLXYKQDHSXRSTQ-LGYFMJFYSA-N |
Inchi ID | InChI=1S/C38H36ClNO7/c1-27(40-26-33(41)31-17-8-18-32(39)25-31)23-30-19-20-34-35(24-30)47-38(46-34,36(42)44-21-9-15-28-11-4-2-5-12-28)37(43)45-22-10-16-29-13-6-3-7-14-29/h2-20,24-25,27,33,40-41H,21-23,26H2,1H3/b15-9+,16-10+/t27-,33+/m1/s1 |
PubChem CID | 44300521 |
ChEMBL | CHEMBL293071 |
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 |
---|---|---|---|---|---|
81686 | Beta-3 adrenergic receptor | P26255 | Adrb3 | Rattus norvegicus (Rat) | 400 |
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