| General Property |
| Molceule ID (DB) | EGIN0003282 |
| Inhibitor Class | Indolone |
| Molecule Name in Refrence Article | 12d compound |
| IUPAC Name | 5-{[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide |
| Formula | C22H27BrN4O2 |
| Mass | 459.379 |
| Exact Mass | 458.1317388 |
| Composition | C (57.52%), H (5.92%), Br (17.39%), N (12.2%), O (6.97%) |
| Atom Count | 56 |
| PI | 10.14 |
| Smiles | c1(c([nH]c(c1C)/C=C/1C(=O)Nc2c1cc(cc2)Br)C)C(=O)NCCN(CC)CC |
| InChI | 1S/C22H27BrN4O2/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 | IVURVTQZRJNNOE-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 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | VEGFR2 | PDGFR beta | FGFR1 | ALL |
| Pub Chem Link |
5329104
|
| Drug Bank Link | - |
| ChemSpider Link | 4486266 |
| ChEMBL Link | CHEMBL13629 |
