| General Property |
| Molceule ID (DB) | EGIN0004907 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 44 |
| IUPAC Name | N-(3-chloro-4-fluorophenyl)-6-[(1H-indol-2-yl)carbonyl]thieno[2,3-d]pyrimidin-4-amine |
| Formula | C21H12ClFN4OS |
| Mass | 422.863 |
| Exact Mass | 422.0404376 |
| Composition | C (59.65%), H (2.86%), Cl (8.38%), F (4.49%), N (13.25%), O (3.78%), S (7.58%) |
| Atom Count | 41 |
| PI | 7.36 |
| Smiles | Fc1c(Cl)cc(Nc2c3cc(sc3ncn2)C(=O)c2cc3ccccc3[nH]2)cc1 |
| InChI | 1S/C21H12ClFN4OS/c22-14-8-12(5-6-15(14)23)26-20-13-9-18(29-21(13)25-10-24-20)19(28)17-7-11-3-1-2-4-1
6(11)27-17/h1-10,27H,(H,24,25,26) |
| InChIKey | RJZRAQCJBYKZLL-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 | VEGFR2 | ALL |
| Pub Chem Link |
56839587
|
| Drug Bank Link | - |
| ChemSpider Link | 28431071 |
| ChEMBL Link | CHEMBL1928291 |
