| General Property |
| Molceule ID (DB) | EGIN0002007 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 9 compound |
| IUPAC Name | N,N-dimethyl-2-[(4-{[1-(pyridin-2-ylmethyl)-1H-indazol-5-yl]amino}quinazolin-5-yl)oxy]acetamide |
| Formula | C25H23N7O2 |
| Mass | 453.4958 |
| Exact Mass | 453.191323 |
| Composition | C (66.21%), H (5.11%), N (21.62%), O (7.06%) |
| Atom Count | 57 |
| PI | 9.88 |
| Smiles | c12c(cccc1ncnc2Nc1cc2c(cc1)n(nc2)Cc1ccccn1)OCC(=O)N(C)C |
| InChI | InChI=1S/C25H23N7O2/c1-31(2)23(33)15-34-22-8-5-7-20-24(22)25(28-16-27-20)30-18-9-10-21-17(12-18)13-2
9-32(21)14-19-6-3-4-11-26-19/h3-13,16H,14-15H2,1-2H3,(H,27,28,30) |
| InChIKey | InChIKey=KRJUXCUAQWRJDR-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 | 18313293 |
| 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 |
16117089
|
| Drug Bank Link | - |
| ChemSpider Link | 17274308 |
| ChEMBL Link | CHEMBL428774 |
