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Name | CHEMBL3403187 |
---|---|
Molecular formula | C31H33NO7 |
IUPAC name | 4-(3-carboxypropyl)-8-[(E)-2-[4-(4-phenoxybutoxy)phenyl]ethenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid |
Molecular weight | 531.605 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 2 |
XlogP | 5.9 |
Synonyms | BDBM50066948 SCHEMBL3099770 |
Inchi Key | KQXMBUWEISAGDL-DTQAZKPQSA-N |
Inchi ID | InChI=1S/C31H33NO7/c33-29(34)12-7-19-32-22-28(31(35)36)39-30-24(8-6-11-27(30)32)16-13-23-14-17-26(18-15-23)38-21-5-4-20-37-25-9-2-1-3-10-25/h1-3,6,8-11,13-18,28H,4-5,7,12,19-22H2,(H,33,34)(H,35,36)/b16-13+ |
PubChem CID | 11455387 |
ChEMBL | CHEMBL3403187 |
IUPHAR | N/A |
BindingDB | 50066948 |
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 |
---|---|---|---|---|---|
448629 | Cysteinyl leukotriene receptor 1 | Q9Y271 | CYSLTR1 | Homo sapiens (Human) | 337 |
448630 | Cysteinyl leukotriene receptor 2 | Q9NS75 | CYSLTR2 | Homo sapiens (Human) | 346 |
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