| General Property |
| Molceule ID (DB) | EGIN0003109 |
| Inhibitor Class | Anilino-pyrimidine |
| Molecule Name in Refrence Article | 24 compound |
| IUPAC Name | (2Z)-3-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)-6-methylpyrimidin-5-yl]-2-fluoro-N-(2-methanesulfonylethyl)prop-2-enamide |
| Formula | C24H23ClF2N4O4S |
| Mass | 536.979 |
| Exact Mass | 536.1096601 |
| Composition | C (53.68%), H (4.32%), Cl (6.6%), F (7.08%), N (10.43%), O (11.92%), S (5.97%) |
| Atom Count | 59 |
| PI | 7.78 |
| Smiles | c1(c(ncnc1Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)C)/C=C(/C(=O)NCCS(=O)(=O)C)F |
| InChI | 1S/C24H23ClF2N4O4S/c1-15-19(12-21(27)24(32)28-8-9-36(2,33)34)23(30-14-29-15)31-18-6-7-22(20(25)11-18
)35-13-16-4-3-5-17(26)10-16/h3-7,10-12,14H,8-9,13H2,1-2H3,(H,28,32)(H,29,30,31)/b21-12- |
| InChIKey | YLFPZRPXZQPKNI-MTJSOVHGSA-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 |
53325551
|
| Drug Bank Link | - |
| ChemSpider Link | 26383749 |
| ChEMBL Link | CHEMBL1683968 |
