| General Property |
| Molceule ID (DB) | EGIN0004358 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 4b |
| IUPAC Name | N-{3-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)sulfanyl]phenyl}prop-2-enamide |
| Formula | C24H25ClN6OS |
| Mass | 481.013 |
| Exact Mass | 480.1499078 |
| Composition | C (59.93%), H (5.24%), Cl (7.37%), N (17.47%), O (3.33%), S (6.67%) |
| Atom Count | 58 |
| PI | 11.01 |
| Smiles | c1c(ccc(c1)Nc1nc(c(cn1)Cl)Sc1cccc(c1)NC(=O)C=C)N1CCN(CC1)C |
| InChI | 1S/C24H25ClN6OS/c1-3-22(32)27-18-5-4-6-20(15-18)33-23-21(25)16-26-24(29-23)28-17-7-9-19(10-8-17)31-1
3-11-30(2)12-14-31/h3-10,15-16H,1,11-14H2,2H3,(H,27,32)(H,26,28,29) |
| InChIKey | KIISCIGBPUVZBF-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 | 20033049 | |
| 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 |
44607531
|
| Drug Bank Link | - |
| ChemSpider Link | 24747362 |
| ChEMBL Link | CHEMBL1643989 |
