| General Property |
| Molceule ID (DB) | EGIN0000042 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 31 compound |
| IUPAC Name | (2S)-2-[({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)(methyl)amino]-3-(dimethylamino)propanamide |
| Formula | C22H26ClFN6O2 |
| Mass | 460.932 |
| Exact Mass | 460.17898 |
| Composition | C (57.33%), H (5.69%), Cl (7.69%), F (4.12%), N (18.23%), O (6.94%) |
| Atom Count | 58 |
| PI | 11.01 |
| Smiles | c1(c(cc2c(c1)c(ncn2)Nc1cccc(c1F)Cl)OC)CN([C@@H](CN(C)C)C(=O)N)C |
| InChI | 1S/C22H26ClFN6O2/c1-29(2)11-18(21(25)31)30(3)10-13-8-14-17(9-19(13)32-4)26-12-27-22(14)28-16-7-5-6-1
5(23)20(16)24/h5-9,12,18H,10-11H2,1-4H3,(H2,25,31)(H,26,27,28)/t18-/m0/s1 |
| InChIKey | JHUDBCRALFDNOD-SFHVURJKSA-N |
| 2D Structure |  | Structure Backbone |  |
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| 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 | 23270264 |
| ChEMBL Link | CHEMBL380889 |
