| General Property |
| Molceule ID (DB) | EGIN0000186 |
| Inhibitor Class | Quinazoline |
| Molecule Name in Refrence Article | 25 compound |
| IUPAC Name | 2-{[6-chloro-2-(4-methylphenyl)quinazolin-4-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide |
| Formula | C25H22ClN3O2S |
| Mass | 463.979 |
| Exact Mass | 463.1121254 |
| Composition | C (64.72%), H (4.78%), Cl (7.64%), N (9.06%), O (6.9%), S (6.91%) |
| Atom Count | 54 |
| PI | 7.73 |
| Smiles | n1c(c2c(nc1c1ccc(cc1)C)ccc(c2)Cl)SCC(=O)Nc1ccc(cc1)OCC |
| InChI | 1S/C25H22ClN3O2S/c1-3-31-20-11-9-19(10-12-20)27-23(30)15-32-25-21-14-18(26)8-13-22(21)28-24(29-25)17
-6-4-16(2)5-7-17/h4-14H,3,15H2,1-2H3,(H,27,30) |
| InChIKey | NHUIHECWYYYFFW-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 | 20599299 |
| 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 |
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| Drug Bank Link | - |
| ChemSpider Link | 26352399 |
| ChEMBL Link | CHEMBL1242540 |
