| General Property |
| Molceule ID (DB) | EGIN0003034 |
| Inhibitor Class | Pyrrolo-pyrimidinone |
| Molecule Name in Refrence Article | 29 compound |
| IUPAC Name | (5Z)-5-({3-methyl-5-[(morpholin-4-yl)carbonyl]-1H-pyrrol-2-yl}methylidene)-4-(piperidin-1-yl)-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-6-one |
| Formula | C22H26N6O3 |
| Mass | 422.4802 |
| Exact Mass | 422.2066387 |
| Composition | C (62.54%), H (6.2%), N (19.89%), O (11.36%) |
| Atom Count | 57 |
| PI | 6.86 |
| Smiles | C1(=Cc2[nH]c(C(=O)N3CCOCC3)cc2C)/c2c(NC1=O)ncnc2N1CCCCC1 |
| InChI | 1S/C22H26N6O3/c1-14-11-17(22(30)28-7-9-31-10-8-28)25-16(14)12-15-18-19(26-21(15)29)23-13-24-20(18)27
-5-3-2-4-6-27/h11-13,25H,2-10H2,1H3,(H,23,24,26,29)/b15-12- |
| InChIKey | VIJTXHKQZRDGPG-QINSGFPZSA-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 |
5329253
|
| Drug Bank Link | - |
| ChemSpider Link | 4486404 |
| ChEMBL Link | CHEMBL68258 |
