| General Property |
| Molceule ID (DB) | EGIN0001968 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 8c compound |
| IUPAC Name | N-[(2S)-1-[(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}quinazolin-5-yl)oxy]propan-2-yl]-2-hydroxy-N-methylacetamide |
| Formula | C26H26ClN5O4 |
| Mass | 507.969 |
| Exact Mass | 507.1673321 |
| Composition | C (61.48%), H (5.16%), Cl (6.98%), N (13.79%), O (12.6%) |
| Atom Count | 62 |
| PI | 9.12 |
| Smiles | c1ccc2c(c1OC[C@@H](N(C)C(=O)CO)C)c(ncn2)Nc1cc(c(cc1)OCc1ncccc1)Cl |
| InChI | 1S/C26H26ClN5O4/c1-17(32(2)24(34)13-33)14-35-23-8-5-7-21-25(23)26(30-16-29-21)31-18-9-10-22(20(27)12
-18)36-15-19-6-3-4-11-28-19/h3-12,16-17,33H,13-15H2,1-2H3,(H,29,30,31)/t17-/m0/s1 |
| InChIKey | HXMKNGQXLJHQDQ-KRWDZBQOSA-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 |
44442026
|
| Drug Bank Link | - |
| ChemSpider Link | 23306569 |
| ChEMBL Link | CHEMBL403785 |
