| General Property |
| Molceule ID (DB) | EGIN0004776 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 13 |
| IUPAC Name | 2-{[2-({4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}oxy)ethyl](2-hydroxyethyl)amino}ethan-1-ol |
| Formula | C21H24ClFN4O4 |
| Mass | 450.891 |
| Exact Mass | 450.1470112 |
| Composition | C (55.94%), H (5.37%), Cl (7.86%), F (4.21%), N (12.43%), O (14.19%) |
| Atom Count | 55 |
| PI | 11.62 |
| Smiles | c1c(c(cc2c1c(ncn2)Nc1ccc(c(c1)Cl)F)OC)OCCN(CCO)CCO |
| InChI | 1S/C21H24ClFN4O4/c1-30-19-12-18-15(11-20(19)31-9-6-27(4-7-28)5-8-29)21(25-13-24-18)26-14-2-3-17(23)1
6(22)10-14/h2-3,10-13,28-29H,4-9H2,1H3,(H,24,25,26) |
| InChIKey | OBECJVAODZZPOU-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 | 11459659 |
| 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 |
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| Drug Bank Link | - |
| ChemSpider Link | 23150726 |
| ChEMBL Link | CHEMBL56505 |
