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Name | CHEMBL1813275 |
---|---|
Molecular formula | C29H27FN2O5 |
IUPAC name | 2-[5-fluoro-2-methyl-1-[2-methyl-4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]indol-3-yl]acetic acid |
Molecular weight | 502.542 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 5.5 |
Synonyms | BDBM50350352 SCHEMBL5643050 |
Inchi Key | NWROVNNECRYPKB-NRFANRHFSA-N |
Inchi ID | InChI=1S/C29H27FN2O5/c1-17-12-20(36-16-21-15-31(3)26-6-4-5-7-27(26)37-21)9-10-22(17)29(35)32-18(2)23(14-28(33)34)24-13-19(30)8-11-25(24)32/h4-13,21H,14-16H2,1-3H3,(H,33,34)/t21-/m0/s1 |
PubChem CID | 10300724 |
ChEMBL | CHEMBL1813275 |
IUPHAR | N/A |
BindingDB | 50350352 |
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 |
---|---|---|---|---|---|
233949 | Prostacyclin receptor | P43119 | PTGIR | Homo sapiens (Human) | 386 |
233948 | Prostaglandin D2 receptor | P70263 | Ptgdr | Mus musculus (Mouse) | 357 |
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