| General Property |
| Molceule ID (DB) | EGIN0004882 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 3q |
| IUPAC Name | N-(3-{[5-chloro-2-({4-[(4-methylpiperazin-1-yl)methyl]phenyl}amino)pyrimidin-4-yl]oxy}phenyl)prop-2-enamide |
| Formula | C25H27ClN6O2 |
| Mass | 478.974 |
| Exact Mass | 478.1884018 |
| Composition | C (62.69%), H (5.68%), Cl (7.4%), N (17.55%), O (6.68%) |
| Atom Count | 61 |
| PI | 10.74 |
| Smiles | c1(nc(ncc1Cl)Nc1ccc(cc1)CN1CCN(CC1)C)Oc1cccc(c1)NC(=O)C=C |
| InChI | 1S/C25H27ClN6O2/c1-3-23(33)28-20-5-4-6-21(15-20)34-24-22(26)16-27-25(30-24)29-19-9-7-18(8-10-19)17-3
2-13-11-31(2)12-14-32/h3-10,15-16H,1,11-14,17H2,2H3,(H,28,33)(H,27,29,30) |
| InChIKey | XMEXQFDIIYIQEW-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 |
53320596
|
| Drug Bank Link | - |
| ChemSpider Link | 26380062 |
| ChEMBL Link | CHEMBL1643983 |
