| General Property |
| Molceule ID (DB) | EGIN0000026 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 16 compound |
| IUPAC Name | (2S)-1-({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)azetidine-2-carboxamide |
| Formula | C20H19ClFN5O2 |
| Mass | 415.849 |
| Exact Mass | 415.1211308 |
| Composition | C (57.76%), H (4.61%), Cl (8.53%), F (4.57%), N (16.84%), O (7.69%) |
| Atom Count | 48 |
| PI | 9.52 |
| Smiles | c12cc(c(cc1ncnc2Nc1cccc(c1F)Cl)OC)CN1[C@H](C(=O)N)CC1 |
| InChI | 1S/C20H19ClFN5O2/c1-29-17-8-15-12(7-11(17)9-27-6-5-16(27)19(23)28)20(25-10-24-15)26-14-4-2-3-13(21)1
8(14)22/h2-4,7-8,10,16H,5-6,9H2,1H3,(H2,23,28)(H,24,25,26)/t16-/m0/s1 |
| InChIKey | JUVXXGGZNUXNLD-INIZCTEOSA-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 | 23269925 |
| ChEMBL Link | CHEMBL207246 |
