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Name | CHEMBL3916441 |
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Molecular formula | C22H22F3N5 |
IUPAC name | 4,5-dimethyl-3-phenyl-6-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridazine |
Molecular weight | 413.448 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 0 |
XlogP | 4.4 |
Synonyms | SCHEMBL13490966 |
Inchi Key | DJIDIHUSPOBXQY-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H22F3N5/c1-15-16(2)21(28-27-20(15)17-6-4-3-5-7-17)30-12-10-29(11-13-30)19-9-8-18(14-26-19)22(23,24)25/h3-9,14H,10-13H2,1-2H3 |
PubChem CID | 59191490 |
ChEMBL | CHEMBL3916441 |
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 |
---|---|---|---|---|---|
537474 | Smoothened homolog | P56726 | Smo | Mus musculus (Mouse) | 793 |
537475 | Smoothened homolog | Q99835 | SMO | Homo sapiens (Human) | 787 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218