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Name | CHEMBL294444 |
---|---|
Molecular formula | C36H48ClNO11 |
IUPAC name | bis(heptanoyloxymethyl) 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate |
Molecular weight | 706.226 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 2 |
XlogP | 8.2 |
Synonyms | 5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid bis(heptanoyloxymethyl) ester |
Inchi Key | HWBYUCOTKILDCJ-IRPSRAIASA-N |
Inchi ID | InChI=1S/C36H48ClNO11/c1-4-6-8-10-15-32(40)44-23-46-34(42)36(35(43)47-24-45-33(41)16-11-9-7-5-2)48-30-18-17-26(20-31(30)49-36)19-25(3)38-22-29(39)27-13-12-14-28(37)21-27/h12-14,17-18,20-21,25,29,38-39H,4-11,15-16,19,22-24H2,1-3H3/t25-,29+/m1/s1 |
PubChem CID | 44300282 |
ChEMBL | CHEMBL294444 |
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. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
125446 | Beta-3 adrenergic receptor | P26255 | Adrb3 | Rattus norvegicus (Rat) | 400 |
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