| General Property |
| Molceule ID (DB) | EGIN0004899 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 36 |
| IUPAC Name | N-(4-bromo-2-fluorophenyl)-6-[(1H-indol-2-yl)carbonyl]thieno[2,3-d]pyrimidin-4-amine |
| Formula | C21H12BrFN4OS |
| Mass | 467.314 |
| Exact Mass | 465.9899226 |
| Composition | C (53.97%), H (2.59%), Br (17.1%), F (4.07%), N (11.99%), O (3.42%), S (6.86%) |
| Atom Count | 41 |
| PI | 7.2 |
| Smiles | Fc1c(Nc2c3cc(sc3ncn2)C(=O)c2cc3ccccc3[nH]2)ccc(Br)c1 |
| InChI | 1S/C21H12BrFN4OS/c22-12-5-6-16(14(23)8-12)27-20-13-9-18(29-21(13)25-10-24-20)19(28)17-7-11-3-1-2-4-1
5(11)26-17/h1-10,26H,(H,24,25,27) |
| InChIKey | XQIRXIVNJKLTQZ-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 |
57400567
|
| Drug Bank Link | - |
| ChemSpider Link | 28481714 |
| ChEMBL Link | CHEMBL1928299 |
