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Name | CHEMBL522241 |
---|---|
Molecular formula | C26H21F3N6 |
IUPAC name | 6-[4-[4-[[4-(trifluoromethyl)phenyl]methyl]phthalazin-1-yl]piperazin-1-yl]pyridine-3-carbonitrile |
Molecular weight | 474.491 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 0 |
XlogP | 5.0 |
Synonyms | SCHEMBL3604514 6-{4-[4-(4-Trifluoromethylbenzyl)phthalazin-1-yl]piperazin-1-yl}nicotinonitrile BDBM50268547 |
Inchi Key | HHXPOXSFJXKWIY-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C26H21F3N6/c27-26(28,29)20-8-5-18(6-9-20)15-23-21-3-1-2-4-22(21)25(33-32-23)35-13-11-34(12-14-35)24-10-7-19(16-30)17-31-24/h1-10,17H,11-15H2 |
PubChem CID | 25065893 |
ChEMBL | CHEMBL522241 |
IUPHAR | N/A |
BindingDB | 50268547 |
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 |
---|---|---|---|---|---|
115373 | Smoothened homolog | P56726 | Smo | Mus musculus (Mouse) | 793 |
115374 | Smoothened homolog | Q99835 | SMO | Homo sapiens (Human) | 787 |
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