| General Property |
| Molceule ID (DB) | EGIN0001026 |
| Inhibitor Class | Indolinone |
| Molecule Name in Refrence Article | 1m compound |
| IUPAC Name | ethyl 3-(2-ethoxy-2-oxoethyl)-5-methyl-4-{[(3E)-5-(methylsulfamoyl)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-1H-pyrrole-2-carboxylate |
| Formula | C22H25N3O7S |
| Mass | 475.515 |
| Exact Mass | 475.1413209 |
| Composition | C (55.57%), H (5.3%), N (8.84%), O (23.55%), S (6.74%) |
| Atom Count | 58 |
| PI | 3.95 |
| Smiles | c12c(ccc(c1)S(=O)(=O)NC)NC(=O)/C/2=C/c1c(c([nH]c1C)C(=O)OCC)CC(=O)OCC |
| InChI | 1S/C22H25N3O7S/c1-5-31-19(26)11-16-14(12(3)24-20(16)22(28)32-6-2)10-17-15-9-13(33(29,30)23-4)7-8-18(
15)25-21(17)27/h7-10,23-24H,5-6,11H2,1-4H3,(H,25,27)/b17-10+ |
| InChIKey | RMNVQAMVRYBPMK-LICLKQGHSA-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 |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
