| General Property |
| Molceule ID (DB) | EGIN0001029 |
| Inhibitor Class | Indolinone |
| Molecule Name in Refrence Article | 1p compound |
| IUPAC Name | ethyl 3-(2-ethoxy-2-oxoethyl)-4-{[(3E)-5-[(3-fluorophenyl)sulfamoyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-5-methyl-1H-pyrrole-2-carboxylate |
| Formula | C27H26FN3O7S |
| Mass | 555.575 |
| Exact Mass | 555.1475491 |
| Composition | C (58.37%), H (4.72%), F (3.42%), N (7.56%), O (20.16%), S (5.77%) |
| Atom Count | 65 |
| PI | 2.79 |
| Smiles | c12c(ccc(c1)S(=O)(=O)Nc1cc(ccc1)F)NC(=O)/C/2=C/c1c(c([nH]c1C)C(=O)OCC)CC(=O)OCC |
| InChI | 1S/C27H26FN3O7S/c1-4-37-24(32)14-21-19(15(3)29-25(21)27(34)38-5-2)13-22-20-12-18(9-10-23(20)30-26(22
)33)39(35,36)31-17-8-6-7-16(28)11-17/h6-13,29,31H,4-5,14H2,1-3H3,(H,30,33)/b22-13+ |
| InChIKey | NPVLJLVBWAULPJ-LPYMAVHISA-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 | No activity data against other kinases present in database |
| Pub Chem Link |
9600749
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
