| General Property |
| Molceule ID (DB) | EGIN0001773 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 5 compound |
| IUPAC Name | 4-[(3-chloro-4-fluorophenyl)amino]-7-methoxy-6-[3-(morpholin-4-yl)propoxy]quinoline-3-carbonitrile |
| Formula | C24H24ClFN4O3 |
| Mass | 470.924 |
| Exact Mass | 470.1520966 |
| Composition | C (61.21%), H (5.14%), Cl (7.53%), F (4.03%), N (11.9%), O (10.19%) |
| Atom Count | 57 |
| PI | 12.09 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)OCCCN1CCOCC1)OC)Nc1cc(c(cc1)F)Cl |
| InChI | 1S/C24H24ClFN4O3/c1-31-22-13-21-18(12-23(22)33-8-2-5-30-6-9-32-10-7-30)24(16(14-27)15-28-21)29-17-3-
4-20(26)19(25)11-17/h3-4,11-13,15H,2,5-10H2,1H3,(H,28,29) |
| InChIKey | OPYYYPKXOUKXEH-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 | 12270171 |
| 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 |
22466767
|
| Drug Bank Link | - |
| ChemSpider Link | 13473154 |
| ChEMBL Link | CHEMBL99024 |
