| General Property |
| Molceule ID (DB) | EGIN0003019 |
| Inhibitor Class | Pyrrolo-pyrimidinone |
| Molecule Name in Refrence Article | 26j compound |
| IUPAC Name | 5-{[(5Z)-4-[(3-chloro-4-fluorophenyl)amino]-7-methyl-6-oxo-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl}-4-methyl-N-[2-(morpholin-4-yl)ethyl]-1H-pyrrole-2-carboxamide |
| Formula | C26H27ClFN7O3 |
| Mass | 539.989 |
| Exact Mass | 539.1847937 |
| Composition | C (57.83%), H (5.04%), Cl (6.57%), F (3.52%), N (18.16%), O (8.89%) |
| Atom Count | 65 |
| PI | 9.72 |
| Smiles | C1(=Cc2[nH]c(cc2C)C(=O)NCCN2CCOCC2)/c2c(N(C1=O)C)ncnc2Nc1cc(c(cc1)F)Cl |
| InChI | 1S/C26H27ClFN7O3/c1-15-11-21(25(36)29-5-6-35-7-9-38-10-8-35)33-20(15)13-17-22-23(30-14-31-24(22)34(2
)26(17)37)32-16-3-4-19(28)18(27)12-16/h3-4,11-14,33H,5-10H2,1-2H3,(H,29,36)(H,30,31,32)/b17-13- |
| InChIKey | VZVRWQGDDKSERZ-LGMDPLHJSA-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 |
5329238
|
| Drug Bank Link | - |
| ChemSpider Link | 4486389 |
| ChEMBL Link | CHEMBL443268 |
