| General Property |
| Molceule ID (DB) | EGIN0003018 |
| Inhibitor Class | Pyrrolo-pyrimidinone |
| Molecule Name in Refrence Article | 26i compound |
| IUPAC Name | (5Z)-4-[(3-chloro-4-fluorophenyl)amino]-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-7-methyl-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-6-one |
| Formula | C20H17ClFN5O |
| Mass | 397.833 |
| Exact Mass | 397.1105661 |
| Composition | C (60.38%), H (4.31%), Cl (8.91%), F (4.78%), N (17.6%), O (4.02%) |
| Atom Count | 45 |
| PI | 8.21 |
| Smiles | C1(=Cc2[nH]c(cc2C)C)/c2c(N(C1=O)C)ncnc2Nc1cc(c(cc1)F)Cl |
| InChI | 1S/C20H17ClFN5O/c1-10-6-11(2)25-16(10)8-13-17-18(23-9-24-19(17)27(3)20(13)28)26-12-4-5-15(22)14(21)7
-12/h4-9,25H,1-3H3,(H,23,24,26)/b13-8- |
| InChIKey | WAYQKXZMUDFDDG-JYRVWZFOSA-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 | EGFR | PDGFR | VEGFR2/Flk-1/KDR | ALL |
| Pub Chem Link |
5329237
|
| Drug Bank Link | - |
| ChemSpider Link | 4486388 |
| ChEMBL Link | CHEMBL69709 |
