| General Property |
| Molceule ID (DB) | EGIN0003700 |
| Inhibitor Class | Indolinone |
| Molecule Name in Refrence Article | 18 compound |
| IUPAC Name | 4-(4-{[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}phenyl)piperazine-1-carbaldehyde |
| Formula | C20H18BrN3O2 |
| Mass | 412.28 |
| Exact Mass | 411.0582395 |
| Composition | C (58.26%), H (4.4%), Br (19.38%), N (10.19%), O (7.76%) |
| Atom Count | 44 |
| PI | 7.15 |
| Smiles | C1(=C/c2ccc(N3CCN(C=O)CC3)cc2)/C(=O)Nc2c1cc(cc2)Br |
| InChI | 1S/C20H18BrN3O2/c21-15-3-6-19-17(12-15)18(20(26)22-19)11-14-1-4-16(5-2-14)24-9-7-23(13-25)8-10-24/h1
-6,11-13H,7-10H2,(H,22,26)/b18-11- |
| InChIKey | BWIHZZBWTTUUMW-WQRHYEAKSA-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 | 9651163 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | FLK-1 | IGF1R | PDGFR | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 23176980 |
| ChEMBL Link | CHEMBL88405 |
