| General Property |
| Molceule ID (DB) | EGIN0004889 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 26 |
| IUPAC Name | N-(3-iodophenyl)-6-[(5-methoxy-1H-indol-2-yl)carbonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
| Formula | C22H16IN5O2 |
| Mass | 509.2992 |
| Exact Mass | 509.0348682 |
| Composition | C (51.88%), H (3.17%), I (24.92%), N (13.75%), O (6.28%) |
| Atom Count | 46 |
| PI | 7.91 |
| Smiles | COc1ccc2[nH]c(cc2c1)C(=O)c1cc2c(Nc3cc(I)ccc3)ncnc2[nH] |
| InChI | 1S/C22H16IN5O2/c1-30-15-5-6-17-12(7-15)8-18(27-17)20(29)19-10-16-21(24-11-25-22(16)28-19)26-14-4-2-3
-13(23)9-14/h2-11,27H,1H3,(H2,24,25,26,28) |
| InChIKey | PUODFDJQSRNOAD-UHFFFAOYSA-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 | 22169601 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | VEGFR2 | |
| Pub Chem Link |
57397175
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | CHEMBL1928296 |
