| General Property |
| Molceule ID (DB) | EGIN0001429 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | 23 compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-3-yl)thieno[3,2-d]pyrimidin-4-amine |
| Formula | C27H24ClFN4O4S2 |
| Mass | 587.085 |
| Exact Mass | 586.0911526 |
| Composition | C (55.24%), H (4.12%), Cl (6.04%), F (3.24%), N (9.54%), O (10.9%), S (10.92%) |
| Atom Count | 63 |
| PI | 10.89 |
| Smiles | c1c(cc(c(c1)OCc1cc(ccc1)F)Cl)Nc1c2c(ncn1)cc(s2)c1coc(c1)CNCCS(=O)(=O)C |
| InChI | 1S/C27H24ClFN4O4S2/c1-39(34,35)8-7-30-13-21-10-18(15-36-21)25-12-23-26(38-25)27(32-16-31-23)33-20-5-
6-24(22(28)11-20)37-14-17-3-2-4-19(29)9-17/h2-6,9-12,15-16,30H,7-8,13-14H2,1H3,(H,31,32,33) |
| InChIKey | CREMXLIEDCOOOC-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 | 19111461 |
| 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 |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 24656564 |
| ChEMBL Link | CHEMBL475769 |
