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Name | CHEMBL293966 |
---|---|
Molecular formula | C30H40ClNO9 |
IUPAC name | bis(2-propan-2-yloxyethyl) 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate |
Molecular weight | 594.098 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 2 |
XlogP | 4.6 |
Synonyms | 5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid bis(2-isopropoxyethyl) ester |
Inchi Key | GVWCDKVKGDLHFD-BWKNWUBXSA-N |
Inchi ID | InChI=1S/C30H40ClNO9/c1-19(2)36-11-13-38-28(34)30(29(35)39-14-12-37-20(3)4)40-26-10-9-22(16-27(26)41-30)15-21(5)32-18-25(33)23-7-6-8-24(31)17-23/h6-10,16-17,19-21,25,32-33H,11-15,18H2,1-5H3/t21-,25+/m1/s1 |
PubChem CID | 44300461 |
ChEMBL | CHEMBL293966 |
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 |
---|---|---|---|---|---|
106634 | Beta-3 adrenergic receptor | P26255 | Adrb3 | Rattus norvegicus (Rat) | 400 |
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