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Name | CHEMBL3758803 |
---|---|
Molecular formula | C33H37FN2O6 |
IUPAC name | 2-[4-[3-[(3-cyclohexyl-3-hydroxypyrrolidine-1-carbonyl)amino]-5-(4-fluorophenoxy)phenoxy]phenyl]-2-methylpropanoic acid |
Molecular weight | 576.665 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 3 |
XlogP | 6.4 |
Synonyms | BDBM50143205 SCHEMBL15911382 |
Inchi Key | DBQXXSHEVMMOHU-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C33H37FN2O6/c1-32(2,30(37)38)22-8-12-26(13-9-22)41-28-18-25(19-29(20-28)42-27-14-10-24(34)11-15-27)35-31(39)36-17-16-33(40,21-36)23-6-4-3-5-7-23/h8-15,18-20,23,40H,3-7,16-17,21H2,1-2H3,(H,35,39)(H,37,38) |
PubChem CID | 90309435 |
ChEMBL | CHEMBL3758803 |
IUPHAR | N/A |
BindingDB | 50143205 |
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 |
---|---|---|---|---|---|
523154 | Sphingosine 1-phosphate receptor 2 | O95136 | S1PR2 | Homo sapiens (Human) | 353 |
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