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Name | CHEMBL3983242 |
---|---|
Molecular formula | C26H27F3N6O2 |
IUPAC name | methyl 5-[(2R)-4-(1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl)-2-methylpiperazin-1-yl]-3-(trifluoromethyl)pyrazine-2-carboxylate |
Molecular weight | 512.537 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 0 |
XlogP | 4.4 |
Synonyms | SCHEMBL13491043 |
Inchi Key | GSZLFWSMCGVDPB-MRXNPFEDSA-N |
Inchi ID | InChI=1S/C26H27F3N6O2/c1-16-15-34(11-12-35(16)21-14-30-22(25(36)37-2)23(31-21)26(27,28)29)24-19-10-6-9-18(19)20(32-33-24)13-17-7-4-3-5-8-17/h3-5,7-8,14,16H,6,9-13,15H2,1-2H3/t16-/m1/s1 |
PubChem CID | 59191575 |
ChEMBL | CHEMBL3983242 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
538554 | Smoothened homolog | Q99835 | SMO | Homo sapiens (Human) | 787 |
538555 | Smoothened homolog | P56726 | Smo | Mus musculus (Mouse) | 793 |
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