Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
LKU35L
|
|||
| Ligand Name |
2-[3-(3-chloro-5-propoxyphenyl)-2-oxo[2H-[1,3'-bipyridine]]-5-yl]benzonitrile
|
|||
| Synonyms |
2-[3-(3-chloro-5-propoxyphenyl)-2-oxo[2H-[1,3'-bipyridine]]-5-yl]benzonitrile; CHEMBL4853536; GTPL11443; BDBM476977; Inhibitor 2 of SARS-CoV-2 Mpro; compound 5 [Zhang et al., 2021]; 2-(3-(3-Chloro-5-propoxyphenyl)-2-oxo-2H [1,3'-bipyridin]-5-yl)benzonitrile; XF1
Click to Show/Hide
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C26H20ClN3O2
|
|||
| Canonical SMILES |
CCCOC1=CC(=CC(=C1)C2=CC(=CN(C2=O)C3=CN=CC=C3)C4=CC=CC=C4C#N)Cl
|
|||
| InChI |
1S/C26H20ClN3O2/c1-2-10-32-23-12-19(11-21(27)14-23)25-13-20(24-8-4-3-6-18(24)15-28)17-30(26(25)31)22-7-5-9-29-16-22/h3-9,11-14,16-17H,2,10H2,1H3
|
|||
| InChIKey |
KFGXONJZGIXSGH-UHFFFAOYSA-N
|
|||
| PubChem Compound ID | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.