| General Property |
| Molceule ID (DB) | EGIN0004894 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 31 |
| IUPAC Name | N-benzyl-6-[(1H-indol-2-yl)carbonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
| Formula | C22H17N5O |
| Mass | 367.4033 |
| Exact Mass | 367.1433102 |
| Composition | C (71.92%), H (4.66%), N (19.06%), O (4.35%) |
| Atom Count | 45 |
| PI | 8.28 |
| Smiles | O=C(c1cc2ccccc2[nH]1)c1cc2c(NCc3ccccc3)ncnc2[nH]1 |
| InChI | 1S/C22H17N5O/c28-20(18-10-15-8-4-5-9-17(15)26-18)19-11-16-21(24-13-25-22(16)27-19)23-12-14-6-2-1-3-7
-14/h1-11,13,26H,12H2,(H2,23,24,25,27) |
| InChIKey | HFGHDBBXVPOUGP-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 |
57402379
|
| Drug Bank Link | - |
| ChemSpider Link | 28481755 |
| ChEMBL Link | CHEMBL1928303 |
