| General Property |
| Molceule ID (DB) | EGIN0004535 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 3a |
| IUPAC Name | N-[3-({5-chloro-2-[(4-fluoro-2-methoxyphenyl)amino]pyrimidin-4-yl}oxy)phenyl]prop-2-enamide |
| Formula | C20H16ClFN4O3 |
| Mass | 414.817 |
| Exact Mass | 414.0894963 |
| Composition | C (57.91%), H (3.89%), Cl (8.55%), F (4.58%), N (13.51%), O (11.57%) |
| Atom Count | 45 |
| PI | 6.85 |
| Smiles | c1(nc(ncc1Cl)Nc1c(cc(cc1)F)OC)Oc1cccc(c1)NC(=O)C=C |
| InChI | 1S/C20H16ClFN4O3/c1-3-18(27)24-13-5-4-6-14(10-13)29-19-15(21)11-23-20(26-19)25-16-8-7-12(22)9-17(16)
28-2/h3-11H,1H2,2H3,(H,24,27)(H,23,25,26) |
| InChIKey | IVRVQNYHBDCDMQ-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 |
53319302
|
| Drug Bank Link | - |
| ChemSpider Link | 26380286 |
| ChEMBL Link | CHEMBL1643969 |
