| General Property |
| Molceule ID (DB) | EGIN0000563 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 35 compound |
| IUPAC Name | 2-butyl-4-chloro-1-[3-({4-[(3-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}oxy)propyl]-1H-imidazole-5-carbaldehyde |
| Formula | C26H27ClFN5O3 |
| Mass | 511.976 |
| Exact Mass | 511.1786457 |
| Composition | C (60.99%), H (5.32%), Cl (6.92%), F (3.71%), N (13.68%), O (9.38%) |
| Atom Count | 63 |
| PI | 10.13 |
| Smiles | c12c(cc(c(c1)OCCCn1c(nc(c1C=O)Cl)CCCC)OC)ncnc2Nc1cccc(c1)F |
| InChI | 1S/C26H27ClFN5O3/c1-3-4-9-24-32-25(27)21(15-34)33(24)10-6-11-36-23-13-19-20(14-22(23)35-2)29-16-30-2
6(19)31-18-8-5-7-17(28)12-18/h5,7-8,12-16H,3-4,6,9-11H2,1-2H3,(H,29,30,31) |
| InChIKey | XDROAYGGEAPBMM-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 | 24623786 |
| ChEMBL Link | CHEMBL556694 |
