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Name | CHEMBL60752 |
---|---|
Molecular formula | C36H36ClNO7 |
IUPAC name | bis(1-phenylethyl) 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate |
Molecular weight | 630.134 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 2 |
XlogP | 7.1 |
Synonyms | 5-{(2R)-2-[(2R)-2-(3-chloro-phenyl)-2-hydroxy-ethylamino]-propyl}benzo[1,3]dioxole-2,2-dicarboxylic acid bis-(1-phenylethyl) ester KRVMSMVZLFOBIC-CLAJUGCKSA-N 5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid bis(1-phenylethyl) ester |
Inchi Key | KRVMSMVZLFOBIC-CLAJUGCKSA-N |
Inchi ID | InChI=1S/C36H36ClNO7/c1-23(38-22-31(39)29-15-10-16-30(37)21-29)19-26-17-18-32-33(20-26)45-36(44-32,34(40)42-24(2)27-11-6-4-7-12-27)35(41)43-25(3)28-13-8-5-9-14-28/h4-18,20-21,23-25,31,38-39H,19,22H2,1-3H3/t23-,24?,25?,31+,36?/m1/s1 |
PubChem CID | 44300300 |
ChEMBL | CHEMBL60752 |
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 |
---|---|---|---|---|---|
176704 | Beta-3 adrenergic receptor | P26255 | Adrb3 | Rattus norvegicus (Rat) | 400 |
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