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Name | CHEMBL35744 |
---|---|
Molecular formula | C28H22KNO6 |
IUPAC name | potassium;1-[(6-ethenyl-1,3-benzodioxol-5-yl)methyl]-3-[(4-methoxyphenyl)methyl]-4-oxoquinoline-2-carboxylate |
Molecular weight | 507.583 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 0 |
XlogP | None |
Synonyms | 1-(6-Vinyl-1,3-benzodioxole-5-ylmethyl)-3-(4-methoxybenzyl)-4-oxo-1,4-dihydroquinoline-2-carboxylic acid potassium salt |
Inchi Key | FHYFUTFYKIRZET-UHFFFAOYSA-M |
Inchi ID | InChI=1S/C28H23NO6.K/c1-3-18-13-24-25(35-16-34-24)14-19(18)15-29-23-7-5-4-6-21(23)27(30)22(26(29)28(31)32)12-17-8-10-20(33-2)11-9-17;/h3-11,13-14H,1,12,15-16H2,2H3,(H,31,32);/q;+1/p-1 |
PubChem CID | 44283787 |
ChEMBL | CHEMBL35744 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. Partition coefficient log P of this ligand is not available. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
78789 | Endothelin receptor type B | P21451 | Ednrb | Rattus norvegicus (Rat) | 442 |
78790 | Endothelin-1 receptor | P26684 | Ednra | Rattus norvegicus (Rat) | 426 |
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