| General Property |
| Molceule ID (DB) | EGIN0003110 |
| Inhibitor Class | Anilino-pyrimidine |
| Molecule Name in Refrence Article | 25 compound |
| IUPAC Name | (2Z)-3-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)-6-methylpyrimidin-5-yl]-1-(4-ethylpiperazin-1-yl)-2-fluoroprop-2-en-1-one |
| Formula | C27H28ClF2N5O2 |
| Mass | 527.993 |
| Exact Mass | 527.1899593 |
| Composition | C (61.42%), H (5.35%), Cl (6.71%), F (7.2%), N (13.26%), O (6.06%) |
| Atom Count | 65 |
| PI | 11.31 |
| Smiles | c1(c(ncnc1Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)C)/C=C(/C(=O)N1CCN(CC1)CC)F |
| InChI | 1S/C27H28ClF2N5O2/c1-3-34-9-11-35(12-10-34)27(36)24(30)15-22-18(2)31-17-32-26(22)33-21-7-8-25(23(28)
14-21)37-16-19-5-4-6-20(29)13-19/h4-8,13-15,17H,3,9-12,16H2,1-2H3,(H,31,32,33)/b24-15- |
| InChIKey | DDUXEFVABXYEDJ-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 |
53322414
|
| Drug Bank Link | - |
| ChemSpider Link | 26388760 |
| ChEMBL Link | CHEMBL1683969 |
