| General Property |
| Molceule ID (DB) | EGIN0003016 |
| Inhibitor Class | Pyrrolo-pyrimidinone |
| Molecule Name in Refrence Article | 26g compound |
| IUPAC Name | 5-{[(5Z)-4-[(3-chloro-4-fluorophenyl)amino]-6-oxo-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl}-N-[2-(morpholin-4-yl)ethyl]-1H-pyrrole-2-carboxamide |
| Formula | C24H23ClFN7O3 |
| Mass | 511.936 |
| Exact Mass | 511.1534935 |
| Composition | C (56.31%), H (4.53%), Cl (6.93%), F (3.71%), N (19.15%), O (9.38%) |
| Atom Count | 59 |
| PI | 7.92 |
| Smiles | C1(=Cc2[nH]c(C(=O)NCCN3CCOCC3)cc2)/c2c(NC1=O)ncnc2Nc1cc(c(cc1)F)Cl |
| InChI | 1S/C24H23ClFN7O3/c25-17-12-15(1-3-18(17)26)31-21-20-16(23(34)32-22(20)29-13-28-21)11-14-2-4-19(30-14
)24(35)27-5-6-33-7-9-36-10-8-33/h1-4,11-13,30H,5-10H2,(H,27,35)(H2,28,29,31,32,34)/b16-11- |
| InChIKey | YXYOPRGOSTYKLY-WJDWOHSUSA-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 |
5329235
|
| Drug Bank Link | - |
| ChemSpider Link | 4486386 |
| ChEMBL Link | CHEMBL302552 |
