| General Property |
| Molceule ID (DB) | EGIN0003024 |
| Inhibitor Class | Pyrrolo-pyrimidinone |
| Molecule Name in Refrence Article | 26o compound |
| IUPAC Name | (5Z)-4-[(3-chloro-4-fluorophenyl)amino]-5-({5-[(4-ethylpiperazin-1-yl)carbonyl]-3-methyl-1H-pyrrol-2-yl}methylidene)-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-6-one |
| Formula | C25H25ClFN7O2 |
| Mass | 509.963 |
| Exact Mass | 509.174229 |
| Composition | C (58.88%), H (4.94%), Cl (6.95%), F (3.73%), N (19.23%), O (6.27%) |
| Atom Count | 61 |
| PI | 8.46 |
| Smiles | C1(=Cc2[nH]c(C(=O)N3CCN(CC3)CC)cc2C)/c2c(NC1=O)ncnc2Nc1cc(c(cc1)F)Cl |
| InChI | 1S/C25H25ClFN7O2/c1-3-33-6-8-34(9-7-33)25(36)20-10-14(2)19(31-20)12-16-21-22(28-13-29-23(21)32-24(16
)35)30-15-4-5-18(27)17(26)11-15/h4-5,10-13,31H,3,6-9H2,1-2H3,(H2,28,29,30,32,35)/b16-12- |
| InChIKey | IKPVHBRKTATKGA-VBKFSLOCSA-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 |
5329243
|
| Drug Bank Link | - |
| ChemSpider Link | 4486394 |
| ChEMBL Link | CHEMBL66570 |
