| General Property |
| Molceule ID (DB) | EGIN0003116 |
| Inhibitor Class | Anilino-pyrimidine |
| Molecule Name in Refrence Article | 31 compound |
| IUPAC Name | 5-[4-(benzylamino)but-1-yn-1-yl]-N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-methylpyrimidin-4-amine |
| Formula | C29H26ClFN4O |
| Mass | 500.994 |
| Exact Mass | 500.1779174 |
| Composition | C (69.52%), H (5.23%), Cl (7.08%), F (3.79%), N (11.18%), O (3.19%) |
| Atom Count | 62 |
| PI | 12.41 |
| Smiles | c1(c(ncnc1Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)C)C#CCCNCc1ccccc1 |
| InChI | 1S/C29H26ClFN4O/c1-21-26(12-5-6-15-32-18-22-8-3-2-4-9-22)29(34-20-33-21)35-25-13-14-28(27(30)17-25)3
6-19-23-10-7-11-24(31)16-23/h2-4,7-11,13-14,16-17,20,32H,6,15,18-19H2,1H3,(H,33,34,35) |
| InChIKey | RAFDIVJEOBJAIO-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 |
53318459
|
| Drug Bank Link | - |
| ChemSpider Link | 26387767 |
| ChEMBL Link | CHEMBL1683975 |
