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Name | CHEMBL2182032 |
---|---|
Molecular formula | C29H25F3N4O4 |
IUPAC name | 1-[4-[4-[4-methyl-5-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethoxy]carbonylamino]triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid |
Molecular weight | 550.538 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 2 |
XlogP | 5.9 |
Synonyms | BDBM50398097 GHKDKQCJENZFNI-GOSISDBHSA-N 1-(4'-{4-methyl-5-[(R)-1-(3-trifluoromethyl-phenyl)ethoxycarbonylamino]-[1,2,3]triazol-1-yl}-biphenyl-4-yl)-cyclopropanecarboxylic acid SCHEMBL16697516 |
Inchi Key | GHKDKQCJENZFNI-GOSISDBHSA-N |
Inchi ID | InChI=1S/C29H25F3N4O4/c1-17-25(33-27(39)40-18(2)21-4-3-5-23(16-21)29(30,31)32)36(35-34-17)24-12-8-20(9-13-24)19-6-10-22(11-7-19)28(14-15-28)26(37)38/h3-13,16,18H,14-15H2,1-2H3,(H,33,39)(H,37,38)/t18-/m1/s1 |
PubChem CID | 71455702 |
ChEMBL | CHEMBL2182032 |
IUPHAR | N/A |
BindingDB | 50398097 |
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 |
---|---|---|---|---|---|
96550 | Lysophosphatidic acid receptor 1 | Q92633 | LPAR1 | Homo sapiens (Human) | 364 |
96551 | Lysophosphatidic acid receptor 3 | Q9UBY5 | LPAR3 | Homo sapiens (Human) | 353 |
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