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Name | CHEMBL594482 |
---|---|
Molecular formula | C29H27FO9 |
IUPAC name | 3-(1,3-benzodioxol-5-yl)-4-[[3-(2-fluoroethoxy)-4,5-dimethoxyphenyl]methyl]-5-hydroxy-5-(4-methoxyphenyl)furan-2-one |
Molecular weight | 538.524 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 1 |
XlogP | 4.3 |
Synonyms | 3-Benzo[1,3]dioxol-5-yl-4-[3-(2-fluoroethoxy)-4,5-dimethoxybenzyl]-5-hydroxy-5-(4-methoxyphenyl)-5H-furan-2-one BDBM50304496 |
Inchi Key | LJYBPMRPPBTBRX-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C29H27FO9/c1-33-20-7-5-19(6-8-20)29(32)21(12-17-13-24(34-2)27(35-3)25(14-17)36-11-10-30)26(28(31)39-29)18-4-9-22-23(15-18)38-16-37-22/h4-9,13-15,32H,10-12,16H2,1-3H3 |
PubChem CID | 45257114 |
ChEMBL | CHEMBL594482 |
IUPHAR | N/A |
BindingDB | 50304496 |
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 |
---|---|---|---|---|---|
189350 | Endothelin receptor type B | P48302 | Ednrb | Mus musculus (Mouse) | 442 |
189351 | Endothelin-1 receptor | Q61614 | Ednra | Mus musculus (Mouse) | 427 |
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