| General Property |
| Molceule ID (DB) | EGIN0003809 |
| Inhibitor Class | Indolinone |
| Molecule Name in Refrence Article | 16b compound |
| IUPAC Name | 3-(5-{[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-2,4-dimethyl-1H-pyrrol-3-yl)propanoic acid |
| Formula | C18H17BrN2O3 |
| Mass | 389.243 |
| Exact Mass | 388.0422551 |
| Composition | C (55.54%), H (4.4%), Br (20.53%), N (7.2%), O (12.33%) |
| Atom Count | 41 |
| PI | 1.02 |
| Smiles | c1(/C=C/2C(=O)Nc3c2cc(cc3)Br)[nH]c(c(c1C)CCC(=O)O)C |
| InChI | 1S/C18H17BrN2O3/c1-9-12(4-6-17(22)23)10(2)20-16(9)8-14-13-7-11(19)3-5-15(13)21-18(14)24/h3,5,7-8,20H
,4,6H2,1-2H3,(H,21,24)(H,22,23)/b14-8- |
| InChIKey | CQXPYMNBBOWLME-ZSOIEALJSA-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 | 10602697 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | VEGFR2 | FGFR1 | PDGFR beta | ALL |
| Pub Chem Link |
5329146
|
| Drug Bank Link | - |
| ChemSpider Link | 4486308 21202096 |
| ChEMBL Link | CHEMBL357803 |
