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Name | CHEMBL3703202 |
---|---|
Molecular formula | C33H37FN2O7 |
IUPAC name | 2-[4-[3-(4-fluorophenoxy)-5-[[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]amino]benzoyl]oxyphenyl]-2-methylpropanoic acid |
Molecular weight | 592.664 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 3 |
XlogP | 5.9 |
Synonyms | SCHEMBL14839318 2-(4-{[3-(4-fluorophenoxy)-5-{[(4-hydroxy-4-isobutyl-1-piperidinyl)carbonyl]amino}benzoyl]oxy}phenyl)-2-methylpropanoic acid US8975409, Example 38 BDBM149710 HCNPUNDFLQNIOB-UHFFFAOYSA-N |
Inchi Key | HCNPUNDFLQNIOB-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C33H37FN2O7/c1-21(2)20-33(41)13-15-36(16-14-33)31(40)35-25-17-22(18-28(19-25)42-26-11-7-24(34)8-12-26)29(37)43-27-9-5-23(6-10-27)32(3,4)30(38)39/h5-12,17-19,21,41H,13-16,20H2,1-4H3,(H,35,40)(H,38,39) |
PubChem CID | 71547630 |
ChEMBL | CHEMBL3703202 |
IUPHAR | N/A |
BindingDB | 149710 |
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 |
---|---|---|---|---|---|
111460 | Sphingosine 1-phosphate receptor 2 | O95136 | S1PR2 | Homo sapiens (Human) | 353 |
460218 | Sphingosine 1-phosphate receptor 2 | P47752 | S1pr2 | Rattus norvegicus (Rat) | 352 |
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