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Name | SCHEMBL3213197 |
---|---|
Molecular formula | C23H27N7O2 |
IUPAC name | methyl 5-[(2R)-4-[4,5-dimethyl-6-(pyridin-2-ylmethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylate |
Molecular weight | 433.516 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 0 |
XlogP | 2.4 |
Synonyms | CHEMBL3895940 (r)-4-(4,5-dimethyl-6-pyridin-2-ylmethyl-pyridazin-3-yl)-2-methyl-3,4,5,6-tetrahydro-2h-[1,2']bipyrazinyl-5'-carboxylic acid methyl ester FWTCYLIISSHRAD-OAHLLOKOSA-N |
Inchi Key | FWTCYLIISSHRAD-OAHLLOKOSA-N |
Inchi ID | InChI=1S/C23H27N7O2/c1-15-14-29(9-10-30(15)21-13-25-20(12-26-21)23(31)32-4)22-17(3)16(2)19(27-28-22)11-18-7-5-6-8-24-18/h5-8,12-13,15H,9-11,14H2,1-4H3/t15-/m1/s1 |
PubChem CID | 59191517 |
ChEMBL | CHEMBL3895940 |
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 |
---|---|---|---|---|---|
538218 | Smoothened homolog | Q99835 | SMO | Homo sapiens (Human) | 787 |
538219 | Smoothened homolog | P56726 | Smo | Mus musculus (Mouse) | 793 |
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