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Name | CHEMBL1086031 |
---|---|
Molecular formula | C27H25FN2O4 |
IUPAC name | 5-(2-fluoropyridin-3-yl)-2-[3-[4-(4-hydroxyphenyl)phenyl]propanoylamino]cyclohexene-1-carboxylic acid |
Molecular weight | 460.505 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 4.7 |
Synonyms | BDBM50319108 SCHEMBL13920616 5-(2-fluoropyridin-3-yl)-2-(3-(4''-hydroxybiphenyl-4-yl)propanamido)cyclohex-1-enecarboxylic acid |
Inchi Key | CHKUMLQAKBGMAW-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C27H25FN2O4/c28-26-22(2-1-15-29-26)20-10-13-24(23(16-20)27(33)34)30-25(32)14-5-17-3-6-18(7-4-17)19-8-11-21(31)12-9-19/h1-4,6-9,11-12,15,20,31H,5,10,13-14,16H2,(H,30,32)(H,33,34) |
PubChem CID | 46890401 |
ChEMBL | CHEMBL1086031 |
IUPHAR | N/A |
BindingDB | 50319108 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
42079 | Hydroxycarboxylic acid receptor 2 | Q8TDS4 | HCAR2 | Homo sapiens (Human) | 363 |
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