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Name | NCGC00090177-01 |
---|---|
Molecular formula | C24H29FN8 |
IUPAC name | 8-(4-fluorophenyl)-6-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-2-methyl-9-propylpurine |
Molecular weight | 448.55 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 0 |
XlogP | 3.0 |
Synonyms | 8-(4-fluorophenyl)-6-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-2-methyl-9-propylpurine CHEMBL1513614 AC1O7HAC |
Inchi Key | AFJLUOMRJGCNEK-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C24H29FN8/c1-3-9-33-22(19-4-6-20(25)7-5-19)29-21-23(27-18(2)28-24(21)33)32-15-13-30(14-16-32)11-12-31-10-8-26-17-31/h4-8,10,17H,3,9,11-16H2,1-2H3 |
PubChem CID | 6605084 |
ChEMBL | CHEMBL1513614 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
4205 | Thyrotropin receptor | P16473 | TSHR | Homo sapiens (Human) | 764 |
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