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Name | CHEMBL1774896 |
---|---|
Molecular formula | C25H13F9O4S |
IUPAC name | 4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiophen-3-yl]-7-[4-(trifluoromethoxy)phenyl]naphthalene-2-carboxylic acid |
Molecular weight | 580.421 |
Hydrogen bond acceptor | 14 |
Hydrogen bond donor | 2 |
XlogP | 8.0 |
Synonyms | BDBM50343881 4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiophen-3-yl)-7-(4-(trifluoromethoxy)phenyl)-2-naphthoic acid |
Inchi Key | QFWPUZBCALDZQR-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C25H13F9O4S/c26-23(27,28)22(37,24(29,30)31)20-11-39-10-19(20)18-9-15(21(35)36)8-14-7-13(3-6-17(14)18)12-1-4-16(5-2-12)38-25(32,33)34/h1-11,37H,(H,35,36) |
PubChem CID | 54584880 |
ChEMBL | CHEMBL1774896 |
IUPHAR | N/A |
BindingDB | 50343881 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. 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 |
---|---|---|---|---|---|
277308 | P2Y purinoceptor 14 | Q9ESG6 | P2ry14 | Mus musculus (Mouse) | 338 |
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