| General Property |
| Molceule ID (DB) | EGIN0003106 |
| Inhibitor Class | Anilino-pyrimidine |
| Molecule Name in Refrence Article | 21 compound |
| IUPAC Name | (2Z)-3-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)-6-methylpyrimidin-5-yl]-2-fluoro-N-[2-(morpholin-4-yl)ethyl]prop-2-enamide |
| Formula | C27H28ClF2N5O3 |
| Mass | 543.993 |
| Exact Mass | 543.1848739 |
| Composition | C (59.61%), H (5.19%), Cl (6.52%), F (6.98%), N (12.87%), O (8.82%) |
| Atom Count | 66 |
| PI | 8.51 |
| Smiles | c1(c(ncnc1Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)C)/C=C(/C(=O)NCCN1CCOCC1)F |
| InChI | 1S/C27H28ClF2N5O3/c1-18-22(15-24(30)27(36)31-7-8-35-9-11-37-12-10-35)26(33-17-32-18)34-21-5-6-25(23(
28)14-21)38-16-19-3-2-4-20(29)13-19/h2-6,13-15,17H,7-12,16H2,1H3,(H,31,36)(H,32,33,34)/b24-15- |
| InChIKey | HJVYBTQSZTWFII-IWIPYMOSSA-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 | 21334203 |
| 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 |
53318458
|
| Drug Bank Link | - |
| ChemSpider Link | 26388359 |
| ChEMBL Link | CHEMBL1683965 |
