| General Property |
| Molceule ID (DB) | EGIN0003011 |
| Inhibitor Class | Pyrrolo-pyrimidinone |
| Molecule Name in Refrence Article | 26b compound |
| IUPAC Name | 3-(5-{[(5Z)-4-[(3-chloro-4-fluorophenyl)amino]-6-oxo-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl}-2,4-dimethyl-1H-pyrrol-3-yl)propanoic acid |
| Formula | C22H19ClFN5O3 |
| Mass | 455.869 |
| Exact Mass | 455.1160454 |
| Composition | C (57.96%), H (4.2%), Cl (7.78%), F (4.17%), N (15.36%), O (10.53%) |
| Atom Count | 51 |
| PI | 3.44 |
| Smiles | C1(=Cc2[nH]c(c(c2C)CCC(=O)O)C)/c2c(NC1=O)ncnc2Nc1cc(c(cc1)F)Cl |
| InChI | 1S/C22H19ClFN5O3/c1-10-13(4-6-18(30)31)11(2)27-17(10)8-14-19-20(25-9-26-21(19)29-22(14)32)28-12-3-5-
16(24)15(23)7-12/h3,5,7-9,27H,4,6H2,1-2H3,(H,30,31)(H2,25,26,28,29,32)/b14-8- |
| InChIKey | GDKHQUDZTDIVIZ-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 | 12127526 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | PDGFR | VEGFR2/Flk-1/KDR | EGFR | ALL |
| Pub Chem Link |
5329230
|
| Drug Bank Link | - |
| ChemSpider Link | 4486381 |
| ChEMBL Link | CHEMBL305782 |
