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Name | CHEMBL3899187 |
---|---|
Molecular formula | C24H24F3N5 |
IUPAC name | 1-benzyl-4-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyridazine |
Molecular weight | 439.486 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 0 |
XlogP | 4.8 |
Synonyms | SCHEMBL13491139 |
Inchi Key | GYFPNEDYUMLPDL-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C24H24F3N5/c25-24(26,27)18-9-10-22(28-16-18)31-11-13-32(14-12-31)23-20-8-4-7-19(20)21(29-30-23)15-17-5-2-1-3-6-17/h1-3,5-6,9-10,16H,4,7-8,11-15H2 |
PubChem CID | 59191467 |
ChEMBL | CHEMBL3899187 |
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 |
---|---|---|---|---|---|
538638 | Smoothened homolog | P56726 | Smo | Mus musculus (Mouse) | 793 |
538639 | Smoothened homolog | Q99835 | SMO | Homo sapiens (Human) | 787 |
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