| General Property |
| Molceule ID (DB) | EGIN0003010 |
| Inhibitor Class | Pyrrolo-pyrimidinone |
| Molecule Name in Refrence Article | 26a compound |
| IUPAC Name | (5Z)-4-[(3-chloro-4-fluorophenyl)amino]-5-(1H-pyrrol-2-ylmethylidene)-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-6-one |
| Formula | C17H11ClFN5O |
| Mass | 355.754 |
| Exact Mass | 355.0636159 |
| Composition | C (57.39%), H (3.12%), Cl (9.97%), F (5.34%), N (19.69%), O (4.5%) |
| Atom Count | 36 |
| PI | 6.46 |
| Smiles | C1(=Cc2[nH]ccc2)/c2c(NC1=O)ncnc2Nc1cc(c(cc1)F)Cl |
| InChI | 1S/C17H11ClFN5O/c18-12-7-10(3-4-13(12)19)23-15-14-11(6-9-2-1-5-20-9)17(25)24-16(14)22-8-21-15/h1-8,2
0H,(H2,21,22,23,24,25)/b11-6- |
| InChIKey | GJJATVDARFZDOM-WDZFZDKYSA-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 |
5329229
|
| Drug Bank Link | - |
| ChemSpider Link | 4486380 |
| ChEMBL Link | CHEMBL69106 |
