| General Property |
| Molceule ID (DB) | EGIN0004645 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 10b |
| IUPAC Name | N-[3-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}pyrimidin-5-yl)phenyl]prop-2-enamide |
| Formula | C25H20ClN5O2 |
| Mass | 457.912 |
| Exact Mass | 457.1305526 |
| Composition | C (65.57%), H (4.4%), Cl (7.74%), N (15.29%), O (6.99%) |
| Atom Count | 53 |
| PI | 9.43 |
| Smiles | c1(c(cncn1)c1cc(ccc1)NC(=O)C=C)Nc1ccc(c(c1)Cl)OCc1ccccn1 |
| InChI | 1S/C25H20ClN5O2/c1-2-24(32)30-18-8-5-6-17(12-18)21-14-27-16-29-25(21)31-19-9-10-23(22(26)13-19)33-15
-20-7-3-4-11-28-20/h2-14,16H,1,15H2,(H,30,32)(H,27,29,31) |
| InChIKey | YTDGAUZFNHXIMR-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 | 22372864 |
| 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 |
57342207
|
| Drug Bank Link | - |
| ChemSpider Link | 28525952 |
| ChEMBL Link | - |
