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Name | CHEMBL57450 |
---|---|
Molecular formula | C36H52ClNO7 |
IUPAC name | dioctyl 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate |
Molecular weight | 646.262 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 2 |
XlogP | 10.2 |
Synonyms | 5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid dioctyl ester |
Inchi Key | CAXFOOLGTVUCAK-JOMNFKBKSA-N |
Inchi ID | InChI=1S/C36H52ClNO7/c1-4-6-8-10-12-14-21-42-34(40)36(35(41)43-22-15-13-11-9-7-5-2)44-32-20-19-28(24-33(32)45-36)23-27(3)38-26-31(39)29-17-16-18-30(37)25-29/h16-20,24-25,27,31,38-39H,4-15,21-23,26H2,1-3H3/t27-,31+/m1/s1 |
PubChem CID | 44300085 |
ChEMBL | CHEMBL57450 |
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 |
---|---|---|---|---|---|
37600 | Beta-3 adrenergic receptor | P26255 | Adrb3 | Rattus norvegicus (Rat) | 400 |
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