| General Property |
| Molceule ID (DB) | EGIN0001602 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | 6 compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-ethynylthieno[3,2-d]pyrimidin-4-amine |
| Formula | C21H13ClFN3OS |
| Mass | 409.864 |
| Exact Mass | 409.0451887 |
| Composition | C (61.54%), H (3.2%), Cl (8.65%), F (4.64%), N (10.25%), O (3.9%), S (7.82%) |
| Atom Count | 41 |
| PI | 8.18 |
| Smiles | n1cnc2c(c1Nc1ccc(c(c1)Cl)OCc1cccc(c1)F)sc(c2)C#C |
| InChI | 1S/C21H13ClFN3OS/c1-2-16-10-18-20(28-16)21(25-12-24-18)26-15-6-7-19(17(22)9-15)27-11-13-4-3-5-14(23)
8-13/h1,3-10,12H,11H2,(H,24,25,26) |
| InChIKey | RBBZLSVNHVBMRU-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 | 18287036 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
10309835
|
| Drug Bank Link | - |
| ChemSpider Link | 8485301 |
| ChEMBL Link | - |
