| General Property |
| Molceule ID (DB) | EGIN0001479 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 1 compound |
| IUPAC Name | N-(3-chloro-4-fluorophenyl)-6-{2-[(2-methanesulfonylethyl)amino]-1,3-thiazol-4-yl}quinazolin-4-amine |
| Formula | C20H17ClFN5O2S2 |
| Mass | 477.963 |
| Exact Mass | 477.0496221 |
| Composition | C (50.26%), H (3.59%), Cl (7.42%), F (3.97%), N (14.65%), O (6.69%), S (13.42%) |
| Atom Count | 48 |
| PI | 9.72 |
| Smiles | n1c(csc1NCCS(=O)(=O)C)c1cc2c(ncnc2cc1)Nc1cc(c(cc1)F)Cl |
| InChI | 1S/C20H17ClFN5O2S2/c1-31(28,29)7-6-23-20-27-18(10-30-20)12-2-5-17-14(8-12)19(25-11-24-17)26-13-3-4-1
6(22)15(21)9-13/h2-5,8-11H,6-7H2,1H3,(H,23,27)(H,24,25,26) |
| InChIKey | XQUZETKLGCMJIF-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 | 12639547 |
| 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 |
44372180
|
| Drug Bank Link | - |
| ChemSpider Link | 23228817 |
| ChEMBL Link | CHEMBL157084 |
