| General Property |
| Molceule ID (DB) | EGIN0000028 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 18 compound |
| IUPAC Name | (2R)-2-[({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)amino]propanamide |
| Formula | C19H19ClFN5O2 |
| Mass | 403.838 |
| Exact Mass | 403.1211308 |
| Composition | C (56.51%), H (4.74%), Cl (8.78%), F (4.7%), N (17.34%), O (7.92%) |
| Atom Count | 47 |
| PI | 10.4 |
| Smiles | c12cc(c(cc1ncnc2Nc1cccc(c1F)Cl)OC)CN[C@H](C)C(=O)N |
| InChI | 1S/C19H19ClFN5O2/c1-10(18(22)27)23-8-11-6-12-15(7-16(11)28-2)24-9-25-19(12)26-14-5-3-4-13(20)17(14)2
1/h3-7,9-10,23H,8H2,1-2H3,(H2,22,27)(H,24,25,26)/t10-/m1/s1 |
| InChIKey | KXECKMQQRGBPLK-SNVBAGLBSA-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 |
11516978
|
| Drug Bank Link | - |
| ChemSpider Link | 9691766 |
| ChEMBL Link | CHEMBL380386 |
