| General Property |
| Molceule ID (DB) | EGIN0000023 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 13 compound |
| IUPAC Name | (2R)-1-({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)-4-methylpiperazine-2-carboxamide |
| Formula | C22H24ClFN6O2 |
| Mass | 458.916 |
| Exact Mass | 458.16333 |
| Composition | C (57.58%), H (5.27%), Cl (7.73%), F (4.14%), N (18.31%), O (6.97%) |
| Atom Count | 56 |
| PI | 10.53 |
| Smiles | c12cc(c(cc1ncnc2Nc1cccc(c1F)Cl)OC)CN1[C@H](CN(CC1)C)C(=O)N |
| InChI | 1S/C22H24ClFN6O2/c1-29-6-7-30(18(11-29)21(25)31)10-13-8-14-17(9-19(13)32-2)26-12-27-22(14)28-16-5-3-
4-15(23)20(16)24/h3-5,8-9,12,18H,6-7,10-11H2,1-2H3,(H2,25,31)(H,26,27,28)/t18-/m1/s1 |
| InChIKey | WKIVNYVECBOILW-GOSISDBHSA-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 | 23270065 |
| ChEMBL Link | CHEMBL204420 |
