| General Property |
| Molceule ID (DB) | EGIN0004531 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 3c |
| IUPAC Name | N-{3-[(5-chloro-2-{[2-methoxy-4-(morpholin-4-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide |
| Formula | C24H24ClN5O4 |
| Mass | 481.931 |
| Exact Mass | 481.151682 |
| Composition | C (59.81%), H (5.02%), Cl (7.36%), N (14.53%), O (13.28%) |
| Atom Count | 58 |
| PI | 7.52 |
| Smiles | c1(nc(ncc1Cl)Nc1c(cc(cc1)N1CCOCC1)OC)Oc1cccc(c1)NC(=O)C=C |
| InChI | 1S/C24H24ClN5O4/c1-3-22(31)27-16-5-4-6-18(13-16)34-23-19(25)15-26-24(29-23)28-20-8-7-17(14-21(20)32-
2)30-9-11-33-12-10-30/h3-8,13-15H,1,9-12H2,2H3,(H,27,31)(H,26,28,29) |
| InChIKey | SGYVANQNHBGWFO-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 | 21208802 |
| 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 |
49820427
|
| Drug Bank Link | - |
| ChemSpider Link | 26380823 |
| ChEMBL Link | CHEMBL1643971 |
