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Name | CHEMBL3758974 |
---|---|
Molecular formula | C30H33FN2O7 |
IUPAC name | 4-[3-(4-fluorophenoxy)-5-[[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]amino]phenoxy]-2-methoxybenzoic acid |
Molecular weight | 552.599 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 3 |
XlogP | 5.1 |
Synonyms | BDBM50143198 SCHEMBL15911022 |
Inchi Key | AQQGFOMOSGPZED-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C30H33FN2O7/c1-19(2)18-30(37)10-12-33(13-11-30)29(36)32-21-14-24(39-22-6-4-20(31)5-7-22)16-25(15-21)40-23-8-9-26(28(34)35)27(17-23)38-3/h4-9,14-17,19,37H,10-13,18H2,1-3H3,(H,32,36)(H,34,35) |
PubChem CID | 90309119 |
ChEMBL | CHEMBL3758974 |
IUPHAR | N/A |
BindingDB | 50143198 |
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 |
---|---|---|---|---|---|
521806 | Sphingosine 1-phosphate receptor 2 | O95136 | S1PR2 | Homo sapiens (Human) | 353 |
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