| General Property |
| Molceule ID (DB) | EGIN0001015 |
| Inhibitor Class | Indolinone |
| Molecule Name in Refrence Article | 1b compound |
| IUPAC Name | ethyl 4-{[(3E)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-3-(2-ethoxy-2-oxoethyl)-5-methyl-1H-pyrrole-2-carboxylate |
| Formula | C21H21BrN2O5 |
| Mass | 461.306 |
| Exact Mass | 460.0633844 |
| Composition | C (54.68%), H (4.59%), Br (17.32%), N (6.07%), O (17.34%) |
| Atom Count | 50 |
| PI | 4.56 |
| Smiles | c12c(ccc(c1)Br)NC(=O)/C/2=Cc1c(c([nH]c1C)C(=O)OCC)CC(=O)OCC |
| InChI | 1S/C21H21BrN2O5/c1-4-28-18(25)10-15-13(11(3)23-19(15)21(27)29-5-2)9-16-14-8-12(22)6-7-17(14)24-20(16
)26/h6-9,23H,4-5,10H2,1-3H3,(H,24,26)/b16-9+ |
| InChIKey | NAORJOZYMBIGSA-CXUHLZMHSA-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 | 17184594 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | PDGFR | VEGFR | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
