| General Property |
| Molceule ID (DB) | EGIN0000558 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 30 compound |
| IUPAC Name | 2-butyl-4-chloro-1-{3-[(7-methoxy-4-{[3-(trifluoromethyl)phenyl]amino}quinazolin-6-yl)oxy]propyl}-1H-imidazole-5-carbaldehyde |
| Formula | C27H27ClF3N5O3 |
| Mass | 561.983 |
| Exact Mass | 561.1754521 |
| Composition | C (57.7%), H (4.84%), Cl (6.31%), F (10.14%), N (12.46%), O (8.54%) |
| Atom Count | 66 |
| PI | 10.3 |
| Smiles | c12c(cc(c(c1)OCCCn1c(nc(c1C=O)Cl)CCCC)OC)ncnc2Nc1cccc(c1)C(F)(F)F |
| InChI | 1S/C27H27ClF3N5O3/c1-3-4-9-24-35-25(28)21(15-37)36(24)10-6-11-39-23-13-19-20(14-22(23)38-2)32-16-33-
26(19)34-18-8-5-7-17(12-18)27(29,30)31/h5,7-8,12-16H,3-4,6,9-11H2,1-2H3,(H,32,33,34) |
| InChIKey | QOFFCNRIKIZQAC-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 |
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| Drug Bank Link | - |
| ChemSpider Link | 24624960 |
| ChEMBL Link | CHEMBL560118 |
