| General Property |
| Molceule ID (DB) | EGIN0000557 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 29 compound |
| IUPAC Name | 2-butyl-4-chloro-1-[3-({4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}oxy)propyl]-1H-imidazole-5-carbaldehyde |
| Formula | C26H26Cl2FN5O3 |
| Mass | 546.421 |
| Exact Mass | 545.1396733 |
| Composition | C (57.15%), H (4.8%), Cl (12.98%), F (3.48%), N (12.82%), O (8.78%) |
| Atom Count | 63 |
| PI | 10.36 |
| Smiles | c12c(cc(c(c1)OCCCn1c(nc(c1C=O)Cl)CCCC)OC)ncnc2Nc1ccc(c(c1)Cl)F |
| InChI | 1S/C26H26Cl2FN5O3/c1-3-4-6-24-33-25(28)21(14-35)34(24)9-5-10-37-23-12-17-20(13-22(23)36-2)30-15-31-2
6(17)32-16-7-8-19(29)18(27)11-16/h7-8,11-15H,3-6,9-10H2,1-2H3,(H,30,31,32) |
| InChIKey | KGFCITCOAAWZES-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 | 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 |
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| Drug Bank Link | - |
| ChemSpider Link | 24629275 |
| ChEMBL Link | CHEMBL563707 |
