| General Property |
| Molceule ID (DB) | EGIN0001738 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 18 Compound |
| IUPAC Name | N-(3-chloro-2-fluorophenyl)-7-methoxy-6-{[1-(2-methoxyethyl)piperidin-4-yl]oxy}quinazolin-4-amine |
| Formula | C23H26ClFN4O3 |
| Mass | 460.929 |
| Exact Mass | 460.1677466 |
| Composition | C (59.93%), H (5.69%), Cl (7.69%), F (4.12%), N (12.16%), O (10.41%) |
| Atom Count | 58 |
| PI | 10.91 |
| Smiles | c12c(cc(c(c1)OC1CCN(CC1)CCOC)OC)ncnc2Nc1cccc(c1F)Cl |
| InChI | 1S/C23H26ClFN4O3/c1-30-11-10-29-8-6-15(7-9-29)32-21-12-16-19(13-20(21)31-2)26-14-27-23(16)28-18-5-3-
4-17(24)22(18)25/h3-5,12-15H,6-11H2,1-2H3,(H,26,27,28) |
| InChIKey | VAGCDXKHNHUMSZ-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 | 16806916 |
| 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 |
9981727
|
| Drug Bank Link | - |
| ChemSpider Link | 8157317 |
| ChEMBL Link | CHEMBL214857 |
