| General Property |
| Molceule ID (DB) | EGIN0000038 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 27 compound |
| IUPAC Name | (2S)-2-[({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)[2-(dimethylamino)ethyl]amino]propanamide |
| Formula | C23H28ClFN6O2 |
| Mass | 474.959 |
| Exact Mass | 474.1946301 |
| Composition | C (58.16%), H (5.94%), Cl (7.46%), F (4%), N (17.69%), O (6.74%) |
| Atom Count | 61 |
| PI | 11.01 |
| Smiles | c1(c(cc2c(c1)c(ncn2)Nc1cccc(c1F)Cl)OC)CN([C@@H](C)C(=O)N)CCN(C)C |
| InChI | 1S/C23H28ClFN6O2/c1-14(22(26)32)31(9-8-30(2)3)12-15-10-16-19(11-20(15)33-4)27-13-28-23(16)29-18-7-5-
6-17(24)21(18)25/h5-7,10-11,13-14H,8-9,12H2,1-4H3,(H2,26,32)(H,27,28,29)/t14-/m0/s1 |
| InChIKey | AYNCWLOKRFSIND-AWEZNQCLSA-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 | 23270059 |
| ChEMBL Link | CHEMBL376967 |
