| General Property |
| Molceule ID (DB) | EGIN0001227 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 1b compound |
| IUPAC Name | 2-chloro-N-{4-[(4,5-dichloro-2-fluorophenyl)amino]-7-(4-fluorobutoxy)quinazolin-6-yl}acetamide |
| Formula | C20H17Cl3F2N4O2 |
| Mass | 489.73 |
| Exact Mass | 488.0385153 |
| Composition | C (49.05%), H (3.5%), Cl (21.72%), F (7.76%), N (11.44%), O (6.53%) |
| Atom Count | 48 |
| PI | 8.03 |
| Smiles | c12c(cc(c(c1)NC(=O)CCl)OCCCCF)ncnc2Nc1c(cc(c(c1)Cl)Cl)F |
| InChI | 1S/C20H17Cl3F2N4O2/c21-9-19(30)28-17-5-11-15(8-18(17)31-4-2-1-3-24)26-10-27-20(11)29-16-7-13(23)12(2
2)6-14(16)25/h5-8,10H,1-4,9H2,(H,28,30)(H,26,27,29) |
| InChIKey | GCSMCMIFUUOKJX-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
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| 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 | 17574425 |
| 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 | - |
| ChEMBL Link | - |
