| General Property |
| Molceule ID (DB) | EGIN0003020 |
| Inhibitor Class | Pyrrolo-pyrimidinone |
| Molecule Name in Refrence Article | 26k compound |
| IUPAC Name | (5Z)-4-[(3-chloro-4-fluorophenyl)amino]-5-({3-methyl-5-[(morpholin-4-yl)carbonyl]-1H-pyrrol-2-yl}methylidene)-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-6-one |
| Formula | C23H20ClFN6O3 |
| Mass | 482.895 |
| Exact Mass | 482.1269444 |
| Composition | C (57.21%), H (4.17%), Cl (7.34%), F (3.93%), N (17.4%), O (9.94%) |
| Atom Count | 54 |
| PI | 6.46 |
| Smiles | C1(=Cc2[nH]c(C(=O)N3CCOCC3)cc2C)/c2c(NC1=O)ncnc2Nc1cc(c(cc1)F)Cl |
| InChI | 1S/C23H20ClFN6O3/c1-12-8-18(23(33)31-4-6-34-7-5-31)29-17(12)10-14-19-20(26-11-27-21(19)30-22(14)32)2
8-13-2-3-16(25)15(24)9-13/h2-3,8-11,29H,4-7H2,1H3,(H2,26,27,28,30,32)/b14-10- |
| InChIKey | JQPOKKSPLVGJGJ-UVTDQMKNSA-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 |
5329239
|
| Drug Bank Link | - |
| ChemSpider Link | 4486390 |
| ChEMBL Link | CHEMBL69960 |
