| General Property |
| Molceule ID (DB) | EGIN0000794 |
| Inhibitor Class | Anilino-pyrimidine |
| Molecule Name in Refrence Article | 8s compound |
| IUPAC Name | (5-{2-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)pyrimidin-5-yl]ethynyl}furan-2-yl)methanol |
| Formula | C24H17ClFN3O3 |
| Mass | 449.861 |
| Exact Mass | 449.0942473 |
| Composition | C (64.08%), H (3.81%), Cl (7.88%), F (4.22%), N (9.34%), O (10.67%) |
| Atom Count | 49 |
| PI | 8.16 |
| Smiles | c1c(cc(c(c1)OCc1cc(ccc1)F)Cl)Nc1c(cncn1)C#Cc1ccc(o1)CO |
| InChI | 1S/C24H17ClFN3O3/c25-22-11-19(5-9-23(22)31-14-16-2-1-3-18(26)10-16)29-24-17(12-27-15-28-24)4-6-20-7-
8-21(13-30)32-20/h1-3,5,7-12,15,30H,13-14H2,(H,27,28,29) |
| InChIKey | KOKYNLBDBNLOPA-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 | 16483772 |
| 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 |
11561468
|
| Drug Bank Link | - |
| ChemSpider Link | 9736242 |
| ChEMBL Link | CHEMBL204467 |
