| General Property |
| Molceule ID (DB) | EGIN0003029 |
| Inhibitor Class | Pyrrolo-pyrimidinone |
| Molecule Name in Refrence Article | 26t compound |
| IUPAC Name | 5-{[(5Z)-4-[(4-chloro-2-fluorophenyl)amino]-6-oxo-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl}-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-2-carboxamide |
| Formula | C25H27ClFN7O2 |
| Mass | 511.979 |
| Exact Mass | 511.1898791 |
| Composition | C (58.65%), H (5.32%), Cl (6.92%), F (3.71%), N (19.15%), O (6.25%) |
| Atom Count | 63 |
| PI | 9.39 |
| Smiles | C1(=Cc2[nH]c(cc2C)C(=O)NCCN(CC)CC)/c2c(NC1=O)ncnc2Nc1c(cc(cc1)Cl)F |
| InChI | 1S/C25H27ClFN7O2/c1-4-34(5-2)9-8-28-25(36)20-10-14(3)19(31-20)12-16-21-22(29-13-30-23(21)33-24(16)35
)32-18-7-6-15(26)11-17(18)27/h6-7,10-13,31H,4-5,8-9H2,1-3H3,(H,28,36)(H2,29,30,32,33,35)/b16-12- |
| InChIKey | VYCCLXYWLSXHKT-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 | VEGFR2/Flk-1/KDR | EGFR | PDGFR | ALL |
| Pub Chem Link |
5329248
|
| Drug Bank Link | - |
| ChemSpider Link | 4486399 |
| ChEMBL Link | CHEMBL308672 |
