| General Property |
| Molceule ID (DB) | EGIN0000033 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 23 compound |
| IUPAC Name | (2R)-2-[({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)(methyl)amino]-N,N-dimethylpropanamide |
| Formula | C22H25ClFN5O2 |
| Mass | 445.918 |
| Exact Mass | 445.168081 |
| Composition | C (59.26%), H (5.65%), Cl (7.95%), F (4.26%), N (15.71%), O (7.18%) |
| Atom Count | 56 |
| PI | 9.97 |
| Smiles | c1(c(cc2c(c1)c(ncn2)Nc1cccc(c1F)Cl)OC)CN([C@H](C)C(=O)N(C)C)C |
| InChI | 1S/C22H25ClFN5O2/c1-13(22(30)28(2)3)29(4)11-14-9-15-18(10-19(14)31-5)25-12-26-21(15)27-17-8-6-7-16(2
3)20(17)24/h6-10,12-13H,11H2,1-5H3,(H,25,26,27)/t13-/m1/s1 |
| InChIKey | QANFVYUCQKENPQ-CYBMUJFWSA-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 | 16516473 |
| 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 | 23269766 |
| ChEMBL Link | CHEMBL380006 |
