| General Property |
| Molceule ID (DB) | EGIN0003030 |
| Inhibitor Class | Pyrrolo-pyrimidinone |
| Molecule Name in Refrence Article | 28a compound |
| IUPAC Name | (5Z)-4-[(2,3-dihydro-1H-inden-5-yl)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 | C26H26N6O3 |
| Mass | 470.523 |
| Exact Mass | 470.2066387 |
| Composition | C (66.37%), H (5.57%), N (17.86%), O (10.2%) |
| Atom Count | 61 |
| PI | 6.46 |
| Smiles | C1(=Cc2[nH]c(C(=O)N3CCOCC3)cc2C)/c2c(NC1=O)ncnc2Nc1cc2c(cc1)CCC2 |
| InChI | 1S/C26H26N6O3/c1-15-11-21(26(34)32-7-9-35-10-8-32)30-20(15)13-19-22-23(27-14-28-24(22)31-25(19)33)29
-18-6-5-16-3-2-4-17(16)12-18/h5-6,11-14,30H,2-4,7-10H2,1H3,(H2,27,28,29,31,33)/b19-13- |
| InChIKey | OZSZUGKQFYJEMK-UYRXBGFRSA-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 | EGFR | VEGFR2/Flk-1/KDR | ALL |
| Pub Chem Link |
5329249
|
| Drug Bank Link | - |
| ChemSpider Link | 4486400 |
| ChEMBL Link | CHEMBL65848 |
