| General Property |
| Molceule ID (DB) | EGIN0004740 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 17 |
| IUPAC Name | N-(3-chloro-4-fluorophenyl)-6-(2-{[2-(dimethylamino)ethyl]amino}ethoxy)-7-methoxyquinazolin-4-amine |
| Formula | C21H25ClFN5O2 |
| Mass | 433.907 |
| Exact Mass | 433.168081 |
| Composition | C (58.13%), H (5.81%), Cl (8.17%), F (4.38%), N (16.14%), O (7.37%) |
| Atom Count | 55 |
| PI | 12.6 |
| Smiles | c1c(c(cc2c1c(ncn2)Nc1ccc(c(c1)Cl)F)OC)OCCNCCN(C)C |
| InChI | 1S/C21H25ClFN5O2/c1-28(2)8-6-24-7-9-30-20-11-15-18(12-19(20)29-3)25-13-26-21(15)27-14-4-5-17(23)16(2
2)10-14/h4-5,10-13,24H,6-9H2,1-3H3,(H,25,26,27) |
| InChIKey | NGFCHICVVRPPGH-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 | 23150470 |
| ChEMBL Link | CHEMBL56936 |
