| General Property |
| Molceule ID (DB) | EGIN0003107 |
| Inhibitor Class | Anilino-pyrimidine |
| Molecule Name in Refrence Article | 22 compound |
| IUPAC Name | (2E)-3-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)-6-methylpyrimidin-5-yl]-N-[2-(morpholin-4-yl)ethyl]prop-2-enamide |
| Formula | C27H29ClFN5O3 |
| Mass | 526.002 |
| Exact Mass | 525.1942957 |
| Composition | C (61.65%), H (5.56%), Cl (6.74%), F (3.61%), N (13.31%), O (9.13%) |
| Atom Count | 66 |
| PI | 10.47 |
| Smiles | c1(c(ncnc1Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)C)/C=C/C(=O)NCCN1CCOCC1 |
| InChI | 1S/C27H29ClFN5O3/c1-19-23(6-8-26(35)30-9-10-34-11-13-36-14-12-34)27(32-18-31-19)33-22-5-7-25(24(28)1
6-22)37-17-20-3-2-4-21(29)15-20/h2-8,15-16,18H,9-14,17H2,1H3,(H,30,35)(H,31,32,33)/b8-6+ |
| InChIKey | YWZGJIHGJWOZJE-SOFGYWHQSA-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 |
53320059
|
| Drug Bank Link | - |
| ChemSpider Link | 26386634 |
| ChEMBL Link | CHEMBL1683966 |
