General Property |
Molceule ID (DB) | EGIN0000857 |
Inhibitor Class | Anilino-quinoline |
Molecule Name in Refrence Article | 20 compound |
IUPAC Name | 4-[(4-chloro-2-fluorophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile |
Formula | C18H13ClFN3O2 |
Mass | 357.766 |
Exact Mass | 357.0680326 |
Composition | C (60.43%), H (3.66%), Cl (9.91%), F (5.31%), N (11.75%), O (8.94%) |
Atom Count | 38 |
PI | 9.56 |
Smiles | c12c(cc(c(c1)OC)OC)ncc(c2Nc1c(cc(cc1)Cl)F)C#N |
InChI | 1S/C18H13ClFN3O2/c1-24-16-6-12-15(7-17(16)25-2)22-9-10(8-21)18(12)23-14-4-3-11(19)5-13(14)20/h3-7,9H
,1-2H3,(H,22,23) |
InChIKey | AZGVCABJHURYHG-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
|
View Structure in Jmol | Click to view 3 d structure Download Mol File |
Drug Like Property | Druglikeliness |
Symmetry & Geometry | Symmetry And Geometrical Information |
Activity & Binding | Activity against isoform and covalant binding information |
Topological Properties | Descriptors |
Reference | 10966743 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | No activity data against other kinases present in database |
Pub Chem Link |
5328852
|
Drug Bank Link | - |
ChemSpider Link | 4486014 |
ChEMBL Link | CHEMBL111664 |