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Name | CHEMBL117504 |
---|---|
Molecular formula | C29H34F3N3O3 |
IUPAC name | 3-[(2R)-2-cyclopentyl-2-(propan-2-ylamino)ethyl]-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione |
Molecular weight | 529.604 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 5.4 |
Synonyms | BDBM50149251 3-((R)-2-Cyclopentyl-2-isopropylamino-ethyl)-1-(2,6-difluoro-benzyl)-5-(2-fluoro-3-methoxy-phenyl)-6-methyl-1H-pyrimidine-2,4-dione |
Inchi Key | ADJBPNHWCPTGMK-DEOSSOPVSA-N |
Inchi ID | InChI=1S/C29H34F3N3O3/c1-17(2)33-24(19-9-5-6-10-19)16-35-28(36)26(20-11-7-14-25(38-4)27(20)32)18(3)34(29(35)37)15-21-22(30)12-8-13-23(21)31/h7-8,11-14,17,19,24,33H,5-6,9-10,15-16H2,1-4H3/t24-/m0/s1 |
PubChem CID | 44343779 |
ChEMBL | CHEMBL117504 |
IUPHAR | N/A |
BindingDB | 50149251 |
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 |
---|---|---|---|---|---|
2357 | Gonadotropin-releasing hormone receptor | P30968 | GNRHR | Homo sapiens (Human) | 328 |
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