| General Property |
| Molceule ID (DB) | EGIN0003093 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 8 compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(thiophen-3-yl)pyrimidin-4-amine |
| Formula | C21H15ClFN3OS |
| Mass | 411.88 |
| Exact Mass | 411.0608387 |
| Composition | C (61.24%), H (3.67%), Cl (8.61%), F (4.61%), N (10.2%), O (3.88%), S (7.79%) |
| Atom Count | 43 |
| PI | 9.92 |
| Smiles | c1c(ncnc1Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)c1ccsc1 |
| InChI | 1S/C21H15ClFN3OS/c22-18-9-17(4-5-20(18)27-11-14-2-1-3-16(23)8-14)26-21-10-19(24-13-25-21)15-6-7-28-1
2-15/h1-10,12-13H,11H2,(H,24,25,26) |
| InChIKey | RZXIJFPEMANFOZ-UHFFFAOYSA-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 |
53325047
|
| Drug Bank Link | - |
| ChemSpider Link | 26388350 |
| ChEMBL Link | CHEMBL1683952 |
