| General Property |
| Molceule ID (DB) | EGIN0003111 |
| Inhibitor Class | Anilino-pyrimidine |
| Molecule Name in Refrence Article | 26 compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-methyl-5-[4-(morpholin-4-yl)but-1-yn-1-yl]pyrimidin-4-amine |
| Formula | C26H26ClFN4O2 |
| Mass | 480.962 |
| Exact Mass | 480.172832 |
| Composition | C (64.93%), H (5.45%), Cl (7.37%), F (3.95%), N (11.65%), O (6.65%) |
| Atom Count | 60 |
| PI | 11.03 |
| Smiles | c1(c(ncnc1Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)C)C#CCCN1CCOCC1 |
| InChI | 1S/C26H26ClFN4O2/c1-19-23(7-2-3-10-32-11-13-33-14-12-32)26(30-18-29-19)31-22-8-9-25(24(27)16-22)34-1
7-20-5-4-6-21(28)15-20/h4-6,8-9,15-16,18H,3,10-14,17H2,1H3,(H,29,30,31) |
| InChIKey | TXIRDIAXSNWNPA-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 |
11955434
|
| Drug Bank Link | - |
| ChemSpider Link | 10129710 |
| ChEMBL Link | CHEMBL1683970 |
