| General Property |
| Molceule ID (DB) | EGIN0004891 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 28 |
| IUPAC Name | N-(4-bromo-2-fluorophenyl)-6-[(1H-indol-2-yl)carbonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
| Formula | C21H13BrFN5O |
| Mass | 450.263 |
| Exact Mass | 449.0287509 |
| Composition | C (56.02%), H (2.91%), Br (17.75%), F (4.22%), N (15.55%), O (3.55%) |
| Atom Count | 42 |
| PI | 7.49 |
| Smiles | Fc1c(Nc2c3cc([nH]c3ncn2)C(=O)c2cc3ccccc3[nH]2)ccc(Br)c1 |
| InChI | 1S/C21H13BrFN5O/c22-12-5-6-16(14(23)8-12)27-20-13-9-18(28-21(13)25-10-24-20)19(29)17-7-11-3-1-2-4-15
(11)26-17/h1-10,26H,(H2,24,25,27,28) |
| InChIKey | BSCRCERSQIXKHN-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 |
57397176
|
| Drug Bank Link | - |
| ChemSpider Link | 28481713 |
| ChEMBL Link | CHEMBL1928298 |
