| General Property |
| Molceule ID (DB) | EGIN0004523 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 3j |
| IUPAC Name | N-(3-{[5-chloro-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}amino)pyrimidin-4-yl]oxy}phenyl)prop-2-enamide |
| Formula | C30H36ClN7O3 |
| Mass | 578.105 |
| Exact Mass | 577.2568158 |
| Composition | C (62.33%), H (6.28%), Cl (6.13%), N (16.96%), O (8.3%) |
| Atom Count | 77 |
| PI | 10.96 |
| Smiles | c1c(cc(c(c1)Nc1nc(c(cn1)Cl)Oc1cccc(c1)NC(=O)C=C)OC)N1CC[C@@H](CC1)N1CCN(CC1)C |
| InChI | 1S/C30H36ClN7O3/c1-4-28(39)33-21-6-5-7-24(18-21)41-29-25(31)20-32-30(35-29)34-26-9-8-23(19-27(26)40-
3)37-12-10-22(11-13-37)38-16-14-36(2)15-17-38/h4-9,18-20,22H,1,10-17H2,2-3H3,(H,33,39)(H,32,34,35) |
| InChIKey | SUQFSXIAGBTMRT-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 |
53319304
|
| Drug Bank Link | - |
| ChemSpider Link | 26377558 |
| ChEMBL Link | CHEMBL1643977 |
