| General Property |
| Molceule ID (DB) | EGIN0003028 |
| Inhibitor Class | Pyrrolo-pyrimidinone |
| Molecule Name in Refrence Article | 26s compound |
| IUPAC Name | 5-{[(5Z)-4-[(3-ethynylphenyl)amino]-6-oxo-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl}-4-methyl-N-[2-(morpholin-4-yl)ethyl]-1H-pyrrole-2-carboxamide |
| Formula | C27H27N7O3 |
| Mass | 497.5484 |
| Exact Mass | 497.2175378 |
| Composition | C (65.18%), H (5.47%), N (19.71%), O (9.65%) |
| Atom Count | 64 |
| PI | 7.92 |
| Smiles | C1(=Cc2[nH]c(cc2C)C(=O)NCCN2CCOCC2)/c2c(NC1=O)ncnc2Nc1cc(C#C)ccc1 |
| InChI | 1S/C27H27N7O3/c1-3-18-5-4-6-19(14-18)31-24-23-20(26(35)33-25(23)30-16-29-24)15-21-17(2)13-22(32-21)2
7(36)28-7-8-34-9-11-37-12-10-34/h1,4-6,13-16,32H,7-12H2,2H3,(H,28,36)(H2,29,30,31,33,35)/b20-15- |
| InChIKey | ZJXFDKWJAGZFLT-HKWRFOASSA-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 |
10300451
|
| Drug Bank Link | - |
| ChemSpider Link | 8475919 |
| ChEMBL Link | CHEMBL69966 |
