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Name | CHEMBL468551 |
---|---|
Molecular formula | C28H24F5N3O3 |
IUPAC name | 3-[(2R)-2-amino-2-phenylethyl]-5-(2-fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-2,4-dione |
Molecular weight | 545.51 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 1 |
XlogP | 4.5 |
Synonyms | 3-[2(R)-amino-2-phenylethyl]-5-(2-fluoro-3-methoxyphenyl)-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methyl-pyrimidine-2.4(1H,3H)-dione ZINC44404439 AKOS030627103 3-[(2R)-Amino-2-phenylethyl]-5-(2-fluoro-3-methoxyphenyl)-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methyl-2,4(1H,3H)-pyrimidinedione (R)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-3-(2-amino-2-phenylethyl)-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4(1H,3H)-dione [ Show all ] |
Inchi Key | AEOBYHAZFRJFPZ-QFIPXVFZSA-N |
Inchi ID | InChI=1S/C28H24F5N3O3/c1-16-24(18-10-6-13-23(39-2)25(18)30)26(37)36(15-22(34)17-8-4-3-5-9-17)27(38)35(16)14-19-20(28(31,32)33)11-7-12-21(19)29/h3-13,22H,14-15,34H2,1-2H3/t22-/m0/s1 |
PubChem CID | 11421412 |
ChEMBL | CHEMBL468551 |
IUPHAR | N/A |
BindingDB | 50261243 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
3671 | Gonadotropin-releasing hormone receptor | P30968 | GNRHR | Homo sapiens (Human) | 328 |
3672 | Gonadotropin-releasing hormone receptor | P30969 | Gnrhr | Rattus norvegicus (Rat) | 327 |
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