| General Property |
| Molceule ID (DB) | EGIN0003012 |
| Inhibitor Class | Pyrrolo-pyrimidinone |
| Molecule Name in Refrence Article | 26c 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-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide |
| Formula | C26H29ClFN7O2 |
| Mass | 526.006 |
| Exact Mass | 525.2055291 |
| Composition | C (59.37%), H (5.56%), Cl (6.74%), F (3.61%), N (18.64%), O (6.08%) |
| Atom Count | 66 |
| PI | 9.39 |
| Smiles | C1(=Cc2[nH]c(c(c2C)C(=O)NCCN(CC)CC)C)/c2c(NC1=O)ncnc2Nc1cc(c(cc1)F)Cl |
| InChI | 1S/C26H29ClFN7O2/c1-5-35(6-2)10-9-29-26(37)21-14(3)20(32-15(21)4)12-17-22-23(30-13-31-24(22)34-25(17
)36)33-16-7-8-19(28)18(27)11-16/h7-8,11-13,32H,5-6,9-10H2,1-4H3,(H,29,37)(H2,30,31,33,34,36)/b17-12- |
| InChIKey | DYAPCMBXNXESMW-ATVHPVEESA-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 |
5329231
|
| Drug Bank Link | - |
| ChemSpider Link | 4486382 |
| ChEMBL Link | CHEMBL432903 |
