| General Property |
| Molceule ID (DB) | EGIN0001614 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 9 compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-{2-[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]ethynyl}thieno[3,2-d]pyrimidin-4-amine |
| Formula | C28H26ClFN4O2S |
| Mass | 537.048 |
| Exact Mass | 536.1449027 |
| Composition | C (62.62%), H (4.88%), Cl (6.6%), F (3.54%), N (10.43%), O (5.96%), S (5.97%) |
| Atom Count | 63 |
| PI | 11.1 |
| Smiles | n1cnc2c(c1Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)sc(c2)C#C[C@@H]1N(CCC1)CCOC |
| InChI | 1S/C28H26ClFN4O2S/c1-35-13-12-34-11-3-6-22(34)8-9-23-16-25-27(37-23)28(32-18-31-25)33-21-7-10-26(24(
29)15-21)36-17-19-4-2-5-20(30)14-19/h2,4-5,7,10,14-16,18,22H,3,6,11-13,17H2,1H3,(H,31,32,33)/t22-/m1
/s1 |
| InChIKey | WAFFZBGYOIPMFM-JOCHJYFZSA-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 | 18842405 |
| 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 |
44580892
|
| Drug Bank Link | - |
| ChemSpider Link | 24719477 |
| ChEMBL Link | CHEMBL523573 |
