| General Property |
| Molceule ID (DB) | EGIN0004522 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 3k |
| IUPAC Name | N-(3-{[5-chloro-2-({4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}amino)pyrimidin-4-yl]oxy}phenyl)prop-2-enamide |
| Formula | C25H25ClN6O3 |
| Mass | 492.957 |
| Exact Mass | 492.1676664 |
| Composition | C (60.91%), H (5.11%), Cl (7.19%), N (17.05%), O (9.74%) |
| Atom Count | 60 |
| PI | 9.57 |
| Smiles | c1c(ccc(c1)Nc1nc(c(cn1)Cl)Oc1cccc(c1)NC(=O)C=C)C(=O)N1CCN(CC1)C |
| InChI | 1S/C25H25ClN6O3/c1-3-22(33)28-19-5-4-6-20(15-19)35-23-21(26)16-27-25(30-23)29-18-9-7-17(8-10-18)24(3
4)32-13-11-31(2)12-14-32/h3-10,15-16H,1,11-14H2,2H3,(H,28,33)(H,27,29,30) |
| InChIKey | YXYLIPRUJOBPES-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 |
53317959
|
| Drug Bank Link | - |
| ChemSpider Link | 26380059 |
| ChEMBL Link | CHEMBL1643978 |
