| General Property |
| Molceule ID (DB) | EGIN0000376 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | PELITINIB |
| IUPAC Name | (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide |
| Formula | C24H23ClFN5O2 |
| Mass | 467.923 |
| Exact Mass | 467.1524309 |
| Composition | C (61.6%), H (4.95%), Cl (7.58%), F (4.06%), N (14.97%), O (6.84%) |
| Atom Count | 56 |
| PI | 10.67 |
| Smiles | c12c(cc(c(c1)NC(=O)/C=C/CN(C)C)OCC)ncc(c2Nc1ccc(c(c1)Cl)F)C#N |
| InChI | 1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-1
9(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)/b6-5+ |
| InChIKey | WVUNYSQLFKLYNI-AATRIKPKSA-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 | 12270171 | 12502359 | 15006373 | 15715478 | 17416531 | 18680272 | 20797871 | 15711537 | |
| 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 |
6445562
|
| Drug Bank Link | - |
| ChemSpider Link | 4949255 |
| ChEMBL Link | CHEMBL607707 |
