| General Property |
| Molceule ID (DB) | EGIN0004476 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 5a |
| IUPAC Name | N-{3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide |
| Formula | C24H26N6O2 |
| Mass | 430.5022 |
| Exact Mass | 430.2117241 |
| Composition | C (66.96%), H (6.09%), N (19.52%), O (7.43%) |
| Atom Count | 58 |
| PI | 10.89 |
| Smiles | c1c(ccc(c1)Nc1nc(ccn1)Oc1cccc(c1)NC(=O)C=C)N1CCN(CC1)C |
| InChI | 1S/C24H26N6O2/c1-3-22(31)26-19-5-4-6-21(17-19)32-23-11-12-25-24(28-23)27-18-7-9-20(10-8-18)30-15-13-
29(2)14-16-30/h3-12,17H,1,13-16H2,2H3,(H,26,31)(H,25,27,28) |
| InChIKey | TXJFHJAUAOXUNX-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 | 21208802 |
| 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 |
42628508
|
| Drug Bank Link | - |
| ChemSpider Link | 26378395 |
| ChEMBL Link | CHEMBL1643994 |
