| General Property |
| Molceule ID (DB) | EGIN0001480 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 2 compound |
| IUPAC Name | N-[4-(benzyloxy)phenyl]-6-{2-[(2-methanesulfonylethyl)amino]-1,3-thiazol-4-yl}quinazolin-4-amine |
| Formula | C27H25N5O3S2 |
| Mass | 531.649 |
| Exact Mass | 531.1398811 |
| Composition | C (61%), H (4.74%), N (13.17%), O (9.03%), S (12.06%) |
| Atom Count | 62 |
| PI | 10.06 |
| Smiles | n1c(csc1NCCS(=O)(=O)C)c1cc2c(ncnc2cc1)Nc1ccc(OCc2ccccc2)cc1 |
| InChI | 1S/C27H25N5O3S2/c1-37(33,34)14-13-28-27-32-25(17-36-27)20-7-12-24-23(15-20)26(30-18-29-24)31-21-8-10
-22(11-9-21)35-16-19-5-3-2-4-6-19/h2-12,15,17-18H,13-14,16H2,1H3,(H,28,32)(H,29,30,31) |
| InChIKey | LFJRDQBYPYZMLW-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 |
44372197
|
| Drug Bank Link | - |
| ChemSpider Link | 23228828 |
| ChEMBL Link | CHEMBL422347 |
