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Name | CHEMBL1672880 |
---|---|
Molecular formula | C35H39FO12 |
IUPAC name | 3-(1,3-benzodioxol-5-yl)-4-[[3-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethoxy]-4,5-dimethoxyphenyl]methyl]-5-hydroxy-5-(4-methoxyphenyl)furan-2-one |
Molecular weight | 670.683 |
Hydrogen bond acceptor | 13 |
Hydrogen bond donor | 1 |
XlogP | 3.9 |
Synonyms | BDBM50336694 3-Benzo[1,3]dioxol-5-yl-4-{3-(2-(2-(2-(2-fluoroethoxy)ethoxy)-ethoxy)ethoxy)-4,5-dimethoxybenzyl}-5-hydroxy-5-(4-methoxyphenyl)-5H-furan-2-one |
Inchi Key | NKOJYTIBYBSFJN-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C35H39FO12/c1-39-26-7-5-25(6-8-26)35(38)27(32(34(37)48-35)24-4-9-28-29(21-24)47-22-46-28)18-23-19-30(40-2)33(41-3)31(20-23)45-17-16-44-15-14-43-13-12-42-11-10-36/h4-9,19-21,38H,10-18,22H2,1-3H3 |
PubChem CID | 51003306 |
ChEMBL | CHEMBL1672880 |
IUPHAR | N/A |
BindingDB | 50336694 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
225688 | Endothelin receptor type B | P48302 | Ednrb | Mus musculus (Mouse) | 442 |
225689 | Endothelin-1 receptor | Q61614 | Ednra | Mus musculus (Mouse) | 427 |
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