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Name | CHEMBL58707 |
---|---|
Molecular formula | C30H36ClNO9 |
IUPAC name | bis(oxolan-3-ylmethyl) 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate |
Molecular weight | 590.066 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 2 |
XlogP | 3.8 |
Synonyms | AMOLEAUVLPOKDK-XQKWPDNKSA-N 5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid bis(tetrahydrofuran-3-ylmethyl) ester 5-{(2R)-2-[(2R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-benzo[1,3]dioxole-2,2-dicarboxylic aicd bis-(tetrahydro-furan-3-ylmethyl) ester |
Inchi Key | AMOLEAUVLPOKDK-XQKWPDNKSA-N |
Inchi ID | InChI=1S/C30H36ClNO9/c1-19(32-14-25(33)23-3-2-4-24(31)13-23)11-20-5-6-26-27(12-20)41-30(40-26,28(34)38-17-21-7-9-36-15-21)29(35)39-18-22-8-10-37-16-22/h2-6,12-13,19,21-22,25,32-33H,7-11,14-18H2,1H3/t19-,21?,22?,25+,30?/m1/s1 |
PubChem CID | 44300368 |
ChEMBL | CHEMBL58707 |
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 |
---|---|---|---|---|---|
9097 | Beta-3 adrenergic receptor | P26255 | Adrb3 | Rattus norvegicus (Rat) | 400 |
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