| General Property |
| Molceule ID (DB) | EGIN0004909 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 46 |
| IUPAC Name | N-(3-chloro-4-fluorophenyl)-6-[(5-methoxy-1H-indol-2-yl)carbonyl]thieno[2,3-d]pyrimidin-4-amine |
| Formula | C22H14ClFN4O2S |
| Mass | 452.889 |
| Exact Mass | 452.0510023 |
| Composition | C (58.34%), H (3.12%), Cl (7.83%), F (4.19%), N (12.37%), O (7.07%), S (7.08%) |
| Atom Count | 45 |
| PI | 7.51 |
| Smiles | COc1ccc2[nH]c(cc2c1)C(=O)c1cc2c(Nc3cc(Cl)c(F)cc3)ncnc2s1 |
| InChI | 1S/C22H14ClFN4O2S/c1-30-13-3-5-17-11(6-13)7-18(28-17)20(29)19-9-14-21(25-10-26-22(14)31-19)27-12-2-4
-16(24)15(23)8-12/h2-10,28H,1H3,(H,25,26,27) |
| InChIKey | PJHRRMICMJBPRK-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 |
56839589
|
| Drug Bank Link | - |
| ChemSpider Link | 28429417 |
| ChEMBL Link | CHEMBL1928312 |
