| General Property |
| Molceule ID (DB) | EGIN0000546 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 18 compound |
| IUPAC Name | 6-[3-(1,3-benzothiazol-2-ylsulfanyl)propoxy]-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine |
| Formula | C25H20ClFN4O2S2 |
| Mass | 527.033 |
| Exact Mass | 526.0700232 |
| Composition | C (56.97%), H (3.82%), Cl (6.73%), F (3.6%), N (10.63%), O (6.07%), S (12.17%) |
| Atom Count | 55 |
| PI | 10.35 |
| Smiles | c12c(cc(c(c1)OCCCSc1nc3c(s1)cccc3)OC)ncnc2Nc1ccc(c(c1)Cl)F |
| InChI | 1S/C25H20ClFN4O2S2/c1-32-21-13-20-16(24(29-14-28-20)30-15-7-8-18(27)17(26)11-15)12-22(21)33-9-4-10-3
4-25-31-19-5-2-3-6-23(19)35-25/h2-3,5-8,11-14H,4,9-10H2,1H3,(H,28,29,30) |
| InChIKey | AQFJGUYVCSHQAA-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 | 18771819 |
| 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 | 24623632 |
| ChEMBL Link | CHEMBL557440 |
