| General Property |
| Molceule ID (DB) | EGIN0003014 |
| Inhibitor Class | Pyrrolo-pyrimidinone |
| Molecule Name in Refrence Article | 26e 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}-4-methyl-1H-pyrrol-2-yl)propanoic acid |
| Formula | C21H17ClFN5O3 |
| Mass | 441.843 |
| Exact Mass | 441.1003953 |
| Composition | C (57.08%), H (3.88%), Cl (8.02%), F (4.3%), N (15.85%), O (10.86%) |
| Atom Count | 48 |
| PI | 3.38 |
| Smiles | C1(=Cc2[nH]c(cc2C)CCC(=O)O)/c2c(NC1=O)ncnc2Nc1cc(c(cc1)F)Cl |
| InChI | 1S/C21H17ClFN5O3/c1-10-6-11(3-5-17(29)30)26-16(10)8-13-18-19(24-9-25-20(18)28-21(13)31)27-12-2-4-15(
23)14(22)7-12/h2,4,6-9,26H,3,5H2,1H3,(H,29,30)(H2,24,25,27,28,31)/b13-8- |
| InChIKey | QKAUOZDTEZWAOG-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 | PDGFR | VEGFR2/Flk-1/KDR | EGFR | ALL |
| Pub Chem Link |
5329233
|
| Drug Bank Link | - |
| ChemSpider Link | 4486384 |
| ChEMBL Link | CHEMBL308645 |
