| General Property |
| Molceule ID (DB) | EGIN0000591 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 20 compound |
| IUPAC Name | N-(3-chloro-4-fluorophenyl)-7-methoxy-5-[(1-propylpiperidin-4-yl)oxy]quinazolin-4-amine |
| Formula | C23H26ClFN4O2 |
| Mass | 444.93 |
| Exact Mass | 444.172832 |
| Composition | C (62.09%), H (5.89%), Cl (7.97%), F (4.27%), N (12.59%), O (7.19%) |
| Atom Count | 57 |
| PI | 12.12 |
| Smiles | c12c(cc(cc1OC1CCN(CC1)CCC)OC)ncnc2Nc1ccc(c(c1)Cl)F |
| InChI | 1S/C23H26ClFN4O2/c1-3-8-29-9-6-16(7-10-29)31-21-13-17(30-2)12-20-22(21)23(27-14-26-20)28-15-4-5-19(2
5)18(24)11-15/h4-5,11-14,16H,3,6-10H2,1-2H3,(H,26,27,28) |
| InChIKey | KJRODMSQOFCOCX-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 | 16380259 |
| 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 | 23268201 |
| ChEMBL Link | CHEMBL203779 |
