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Name | CHEMBL555910 |
---|---|
Molecular formula | C37H29F2N3O2 |
IUPAC name | 4-[[5-[[3-[(E)-2-(6,7-difluoroquinolin-2-yl)ethenyl]phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]methyl]benzoic acid |
Molecular weight | 585.655 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 5.0 |
Synonyms | BDBM50296088 4-((5-(3-(2-(6,7-difluoroquinolin-2-yl)vinyl)benzyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2(5H)-yl)methyl)benzoic acid |
Inchi Key | FEBXKJNGRCVYFS-GXDHUFHOSA-N |
Inchi ID | InChI=1S/C37H29F2N3O2/c38-32-19-28-13-15-29(40-34(28)20-33(32)39)14-10-24-4-3-5-26(18-24)22-42-35-7-2-1-6-30(35)31-23-41(17-16-36(31)42)21-25-8-11-27(12-9-25)37(43)44/h1-15,18-20H,16-17,21-23H2,(H,43,44)/b14-10+ |
PubChem CID | 45270885 |
ChEMBL | CHEMBL555910 |
IUPHAR | N/A |
BindingDB | 50296088 |
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 |
---|---|---|---|---|---|
76099 | Cysteinyl leukotriene receptor 1 | Q2NNR5 | CYSLTR1 | Cavia porcellus (Guinea pig) | 340 |
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