| General Property |
| Molceule ID (DB) | EGIN0000016 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 6 compound |
| IUPAC Name | (2R)-1-({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)pyrrolidine-2-carboxamide |
| Formula | C21H21ClFN5O2 |
| Mass | 429.875 |
| Exact Mass | 429.1367809 |
| Composition | C (58.67%), H (4.92%), Cl (8.25%), F (4.42%), N (16.29%), O (7.44%) |
| Atom Count | 51 |
| PI | 9.98 |
| Smiles | c12c(cc(c(c1)CN1CCC[C@@H]1C(=O)N)OC)ncnc2Nc1c(c(ccc1)Cl)F |
| InChI | 1S/C21H21ClFN5O2/c1-30-18-9-16-13(8-12(18)10-28-7-3-6-17(28)20(24)29)21(26-11-25-16)27-15-5-2-4-14(2
2)19(15)23/h2,4-5,8-9,11,17H,3,6-7,10H2,1H3,(H2,24,29)(H,25,26,27)/t17-/m1/s1 |
| InChIKey | SAERMKUGKADQHG-QGZVFWFLSA-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 |
11502867
|
| Drug Bank Link | - |
| ChemSpider Link | 9677669 |
| ChEMBL Link | CHEMBL208292 |
