| General Property |
| Molceule ID (DB) | EGIN0001966 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 8a compound |
| IUPAC Name | N-{2-[(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}quinazolin-5-yl)oxy]ethyl}-2-hydroxy-N-methylacetamide |
| Formula | C25H24ClN5O4 |
| Mass | 493.942 |
| Exact Mass | 493.151682 |
| Composition | C (60.79%), H (4.9%), Cl (7.18%), N (14.18%), O (12.96%) |
| Atom Count | 59 |
| PI | 9.13 |
| Smiles | c1ccc2c(c1OCCN(C)C(=O)CO)c(ncn2)Nc1cc(c(cc1)OCc1ncccc1)Cl |
| InChI | 1S/C25H24ClN5O4/c1-31(23(33)14-32)11-12-34-22-7-4-6-20-24(22)25(29-16-28-20)30-17-8-9-21(19(26)13-17
)35-15-18-5-2-3-10-27-18/h2-10,13,16,32H,11-12,14-15H2,1H3,(H,28,29,30) |
| InChIKey | XNMHWKJRXNZELF-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 | 17869514 |
| 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 |
11454712
|
| Drug Bank Link | - |
| ChemSpider Link | 9629562 |
| ChEMBL Link | CHEMBL249928 |
