| General Property |
| Molceule ID (DB) | EGIN0003017 |
| Inhibitor Class | Pyrrolo-pyrimidinone |
| Molecule Name in Refrence Article | SU-11464 |
| IUPAC Name | 5-{[(5Z)-4-[(3-chloro-4-fluorophenyl)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 | C25H25ClFN7O3 |
| Mass | 525.963 |
| Exact Mass | 525.1691436 |
| Composition | C (57.09%), H (4.79%), Cl (6.74%), F (3.61%), N (18.64%), O (9.13%) |
| Atom Count | 62 |
| PI | 7.92 |
| Smiles | c1(ncnc2c1/C(=C/c1[nH]c(cc1C)C(=O)NCCN1CCOCC1)/C(=O)N2)Nc1ccc(c(c1)Cl)F |
| InChI | 1S/C25H25ClFN7O3/c1-14-10-20(25(36)28-4-5-34-6-8-37-9-7-34)32-19(14)12-16-21-22(29-13-30-23(21)33-24
(16)35)31-15-2-3-18(27)17(26)11-15/h2-3,10-13,32H,4-9H2,1H3,(H,28,36)(H2,29,30,31,33,35)/b16-12- |
| InChIKey | OLURIASFBDWIAK-VBKFSLOCSA-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 | 15711537 | 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 |
5329236
|
| Drug Bank Link | - |
| ChemSpider Link | 4486387 |
| ChEMBL Link | CHEMBL69629 |
