| General Property |
| Molceule ID (DB) | EGIN0004045 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | 28 compound |
| IUPAC Name | 3-(4-{4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl}phenyl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]urea |
| Formula | C21H15F4N5OS |
| Mass | 461.435 |
| Exact Mass | 461.0933436 |
| Composition | C (54.66%), H (3.28%), F (16.47%), N (15.18%), O (3.47%), S (6.95%) |
| Atom Count | 47 |
| PI | 7.17 |
| Smiles | c1cc(ccc1NC(=O)Nc1c(ccc(c1)C(F)(F)F)F)c1c(sc2c1c(ncn2)N)C |
| InChI | 1S/C21H15F4N5OS/c1-10-16(17-18(26)27-9-28-19(17)32-10)11-2-5-13(6-3-11)29-20(31)30-15-8-12(21(23,24)
25)4-7-14(15)22/h2-9H,1H3,(H2,26,27,28)(H2,29,30,31) |
| InChIKey | GXKSGTIXGWDSGJ-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 | 16162008 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | c-Kit | c-Met | CSF1R | FGFR | FLT1 | FLT3 | FLT4 | KDR | LCK | PDGFR | Tie2 | ALL |
| Pub Chem Link |
6540005
|
| Drug Bank Link | - |
| ChemSpider Link | 5022405 |
| ChEMBL Link | CHEMBL381207 |
