| General Property |
| Molceule ID (DB) | EGIN0000040 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 29 compound |
| IUPAC Name | (2S)-2-[({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)(methyl)amino]-3-methoxypropanamide |
| Formula | C21H23ClFN5O3 |
| Mass | 447.89 |
| Exact Mass | 447.1473455 |
| Composition | C (56.31%), H (5.18%), Cl (7.92%), F (4.24%), N (15.64%), O (10.72%) |
| Atom Count | 54 |
| PI | 9.66 |
| Smiles | c1(c(cc2c(c1)c(ncn2)Nc1cccc(c1F)Cl)OC)CN([C@@H](COC)C(=O)N)C |
| InChI | 1S/C21H23ClFN5O3/c1-28(17(10-30-2)20(24)29)9-12-7-13-16(8-18(12)31-3)25-11-26-21(13)27-15-6-4-5-14(2
2)19(15)23/h4-8,11,17H,9-10H2,1-3H3,(H2,24,29)(H,25,26,27)/t17-/m0/s1 |
| InChIKey | LJNUYDJKKBIGJB-KRWDZBQOSA-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 |
11719305
|
| Drug Bank Link | - |
| ChemSpider Link | 9894023 |
| ChEMBL Link | CHEMBL379905 |
