| General Property |
| Molceule ID (DB) | EGIN0003104 |
| Inhibitor Class | Anilino-pyrimidine |
| Molecule Name in Refrence Article | 19 compound |
| IUPAC Name | (2E)-3-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)-6-methylpyrimidin-5-yl]-2-methyl-N-[2-(morpholin-4-yl)ethyl]prop-2-enamide |
| Formula | C28H31ClFN5O3 |
| Mass | 540.029 |
| Exact Mass | 539.2099458 |
| Composition | C (62.27%), H (5.79%), Cl (6.57%), F (3.52%), N (12.97%), O (8.89%) |
| Atom Count | 69 |
| PI | 10.41 |
| Smiles | c1(c(ncnc1Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)C)/C=C(/C(=O)NCCN1CCOCC1)C |
| InChI | 1S/C28H31ClFN5O3/c1-19(28(36)31-8-9-35-10-12-37-13-11-35)14-24-20(2)32-18-33-27(24)34-23-6-7-26(25(2
9)16-23)38-17-21-4-3-5-22(30)15-21/h3-7,14-16,18H,8-13,17H2,1-2H3,(H,31,36)(H,32,33,34)/b19-14+ |
| InChIKey | ZTCDSBCIETVDQK-XMHGGMMESA-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 |
53325049
|
| Drug Bank Link | - |
| ChemSpider Link | 26388067 |
| ChEMBL Link | CHEMBL1683963 |
