| General Property |
| Molceule ID (DB) | EGIN0001483 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 5 compound |
| IUPAC Name | N-[4-(benzyloxy)-3-chlorophenyl]-6-{2-[(2-methanesulfonylethyl)amino]-1,3-thiazol-4-yl}quinazolin-4-amine |
| Formula | C27H24ClN5O3S2 |
| Mass | 566.094 |
| Exact Mass | 565.1009087 |
| Composition | C (57.29%), H (4.27%), Cl (6.26%), N (12.37%), O (8.48%), S (11.33%) |
| Atom Count | 62 |
| PI | 9.9 |
| Smiles | n1c(csc1NCCS(=O)(=O)C)c1cc2c(ncnc2cc1)Nc1cc(c(OCc2ccccc2)cc1)Cl |
| InChI | 1S/C27H24ClN5O3S2/c1-38(34,35)12-11-29-27-33-24(16-37-27)19-7-9-23-21(13-19)26(31-17-30-23)32-20-8-1
0-25(22(28)14-20)36-15-18-5-3-2-4-6-18/h2-10,13-14,16-17H,11-12,15H2,1H3,(H,29,33)(H,30,31,32) |
| InChIKey | LYKORKBUGRQTBH-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 |
44372022
|
| Drug Bank Link | - |
| ChemSpider Link | 23228669 |
| ChEMBL Link | CHEMBL160846 |
