| General Property |
| Molceule ID (DB) | EGIN0004912 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 56 |
| IUPAC Name | 6-[(1-benzofuran-2-yl)carbonyl]-N-(3-chloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine |
| Formula | C21H11ClFN3O2S |
| Mass | 423.847 |
| Exact Mass | 423.0244532 |
| Composition | C (59.51%), H (2.62%), Cl (8.36%), F (4.48%), N (9.91%), O (7.55%), S (7.57%) |
| Atom Count | 40 |
| PI | 8.73 |
| Smiles | Fc1c(Cl)cc(Nc2c3cc(sc3ncn2)C(=O)c2cc3ccccc3o2)cc1 |
| InChI | 1S/C21H11ClFN3O2S/c22-14-8-12(5-6-15(14)23)26-20-13-9-18(29-21(13)25-10-24-20)19(27)17-7-11-3-1-2-4-
16(11)28-17/h1-10H,(H,24,25,26) |
| InChIKey | TZIOCZDXIULNII-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 |
57395353
|
| Drug Bank Link | - |
| ChemSpider Link | 28429804 |
| ChEMBL Link | CHEMBL1928314 |
