| General Property |
| Molceule ID (DB) | EGIN0004908 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 45 |
| IUPAC Name | 2-({4-[(3-chloro-4-fluorophenyl)amino]thieno[2,3-d]pyrimidin-6-yl}carbonyl)-1H-indol-5-ol |
| Formula | C21H12ClFN4O2S |
| Mass | 438.862 |
| Exact Mass | 438.0353523 |
| Composition | C (57.47%), H (2.76%), Cl (8.08%), F (4.33%), N (12.77%), O (7.29%), S (7.31%) |
| Atom Count | 42 |
| PI | 5.97 |
| Smiles | Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2c(Nc3cc(Cl)c(F)cc3)ncnc2s1 |
| InChI | 1S/C21H12ClFN4O2S/c22-14-7-11(1-3-15(14)23)26-20-13-8-18(30-21(13)25-9-24-20)19(29)17-6-10-5-12(28)2
-4-16(10)27-17/h1-9,27-28H,(H,24,25,26) |
| InChIKey | ZWJABXBGZUCAAB-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 |
56839588
|
| Drug Bank Link | - |
| ChemSpider Link | 28429416 |
| ChEMBL Link | CHEMBL1928311 |
