| General Property |
| Molceule ID (DB) | EGIN0002231 |
| Inhibitor Class | Indolone |
| Molecule Name in Refrence Article | SUNITINIB |
| IUPAC Name | N-[2-(diethylamino)ethyl]-5-{[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-2,4-dimethyl-1H-pyrrole-3-carboxamide |
| Formula | C22H27FN4O2 |
| Mass | 398.4738 |
| Exact Mass | 398.2118043 |
| Composition | C (66.31%), H (6.83%), F (4.77%), N (14.06%), O (8.03%) |
| Atom Count | 56 |
| PI | 10.25 |
| Smiles | Cc1c(c(C)c(/C=C2/c3cc(ccc3NC2=O)F)[nH]1)C(=O)NCCN(CC)CC |
| InChI | 1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)
28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- |
| InChIKey | WINHZLLDWRZWRT-ATVHPVEESA-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 | 12646019 | 18849971 | 20403700 | |
| 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 |
5329102
|
| Drug Bank Link | - |
| ChemSpider Link | 4486264 |
| ChEMBL Link | CHEMBL535 |
