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Name | CHEMBL3121479 |
---|---|
Molecular formula | C34H48N4O4+2 |
IUPAC name | 4-(4,5-dihydro-1,2-oxazol-3-yloxy)but-2-ynyl-[8-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl-dimethylazaniumyl]octyl]-dimethylazanium |
Molecular weight | 576.782 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 0 |
XlogP | 5.2 |
Synonyms | BDBM50448375 CHEMBL3139879 |
Inchi Key | CNGHSLBUOLWITH-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C34H48N4O4/c1-37(2,24-11-12-26-41-31-20-27-42-35-31)22-9-7-5-6-8-10-23-38(3,4)25-15-21-36-33(39)29-18-13-16-28-17-14-19-30(32(28)29)34(36)40/h13-14,16-19H,5-10,15,20-27H2,1-4H3/q+2 |
PubChem CID | 60138192 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50448375 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
558699 | Muscarinic acetylcholine receptor M2 | P06199 | CHRM2 | Sus scrofa (Pig) | 466 |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417