| General Property |
| Molceule ID (DB) | EGIN0001027 |
| Inhibitor Class | Indolinone |
| Molecule Name in Refrence Article | 1n compound |
| IUPAC Name | ethyl 3-(2-ethoxy-2-oxoethyl)-5-methyl-4-{[(3E)-5-{[(3S)-morpholin-3-yl]sulfamoyl}-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-1H-pyrrole-2-carboxylate |
| Formula | C25H30N4O8S |
| Mass | 546.593 |
| Exact Mass | 546.1784346 |
| Composition | C (54.93%), H (5.53%), N (10.25%), O (23.42%), S (5.87%) |
| Atom Count | 68 |
| PI | 7.75 |
| Smiles | c12c(ccc(c1)S(=O)(=O)N[C@@H]1NCCOC1)NC(=O)/C/2=C/c1c(c([nH]c1C)C(=O)OCC)CC(=O)OCC |
| InChI | 1S/C25H30N4O8S/c1-4-36-22(30)12-18-16(14(3)27-23(18)25(32)37-5-2)11-19-17-10-15(6-7-20(17)28-24(19)3
1)38(33,34)29-21-13-35-9-8-26-21/h6-7,10-11,21,26-27,29H,4-5,8-9,12-13H2,1-3H3,(H,28,31)/b19-11+/t21
-/m0/s1 |
| InChIKey | GMMSZFNYQLWMNT-MRCZTLKWSA-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 | - |
