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Name | CHEMBL293763 |
---|---|
Molecular formula | C36H48ClNO7 |
IUPAC name | bis[(1-methylcyclohexyl)methyl] 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate |
Molecular weight | 642.23 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 2 |
XlogP | 8.9 |
Synonyms | 5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid bis(1-methylcyclohexylmethyl) ester 5-{(2R)-2-[(2R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-benzo[1,3]dioxole-2,2-dicarboxylic aicd bis-(1-methyl-cyclohexylmethyl) ester IHCBHCYLHOVQST-IRPSRAIASA-N |
Inchi Key | IHCBHCYLHOVQST-IRPSRAIASA-N |
Inchi ID | InChI=1S/C36H48ClNO7/c1-25(38-22-29(39)27-11-10-12-28(37)21-27)19-26-13-14-30-31(20-26)45-36(44-30,32(40)42-23-34(2)15-6-4-7-16-34)33(41)43-24-35(3)17-8-5-9-18-35/h10-14,20-21,25,29,38-39H,4-9,15-19,22-24H2,1-3H3/t25-,29+/m1/s1 |
PubChem CID | 44300590 |
ChEMBL | CHEMBL293763 |
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 |
---|---|---|---|---|---|
133075 | Beta-3 adrenergic receptor | P26255 | Adrb3 | Rattus norvegicus (Rat) | 400 |
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