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Name | CHEMBL60740 |
---|---|
Molecular formula | C30H40ClNO9 |
IUPAC name | bis(3-hydroxy-2,2-dimethylpropyl) 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 | 4 |
XlogP | 4.3 |
Synonyms | 5-{(2R)-2-[(2R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-benzo[1,3]dioxole-2,2-dicarboxylic aicd bis-(3-hydroxy-2,2-dimethyl-propyl) ester DWMQGAYDLFINSV-XXBNENTESA-N 5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid bis(2,2-dimethyl-3-hydroxypropyl) ester |
Inchi Key | DWMQGAYDLFINSV-XXBNENTESA-N |
Inchi ID | InChI=1S/C30H40ClNO9/c1-19(32-14-23(35)21-7-6-8-22(31)13-21)11-20-9-10-24-25(12-20)41-30(40-24,26(36)38-17-28(2,3)15-33)27(37)39-18-29(4,5)16-34/h6-10,12-13,19,23,32-35H,11,14-18H2,1-5H3/t19-,23+/m1/s1 |
PubChem CID | 44300518 |
ChEMBL | CHEMBL60740 |
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 |
---|---|---|---|---|---|
70716 | Beta-3 adrenergic receptor | P26255 | Adrb3 | Rattus norvegicus (Rat) | 400 |
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