| General Property |
| Molceule ID (DB) | EGIN0001842 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 7 compound |
| IUPAC Name | N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-7-methoxy-5-[(4-methylpiperidin-1-yl)oxy]quinazolin-4-amine |
| Formula | C27H28ClN5O3 |
| Mass | 505.996 |
| Exact Mass | 505.1880675 |
| Composition | C (64.09%), H (5.58%), Cl (7.01%), N (13.84%), O (9.49%) |
| Atom Count | 64 |
| PI | 9.79 |
| Smiles | c1(c2c(ON3CC[C@@H](CC3)C)cc(cc2ncn1)OC)Nc1cc(c(OCc2ncccc2)cc1)Cl |
| InChI | 1S/C27H28ClN5O3/c1-18-8-11-33(12-9-18)36-25-15-21(34-2)14-23-26(25)27(31-17-30-23)32-19-6-7-24(22(28
)13-19)35-16-20-5-3-4-10-29-20/h3-7,10,13-15,17-18H,8-9,11-12,16H2,1-2H3,(H,30,31,32) |
| InChIKey | DXHVWHPBMGIYNQ-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 | 16055332 |
| 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 |
44403420
|
| Drug Bank Link | - |
| ChemSpider Link | 23261667 |
| ChEMBL Link | CHEMBL444619 |
