| General Property |
| Molceule ID (DB) | EGIN0000021 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 11compound |
| IUPAC Name | (3S)-1-({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)pyrrolidine-3-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 | 10.77 |
| Smiles | c12cc(c(cc1ncnc2Nc1cccc(c1F)Cl)OC)CN1C[C@H](CC1)C(=O)N |
| InChI | 1S/C21H21ClFN5O2/c1-30-18-8-17-14(7-13(18)10-28-6-5-12(9-28)20(24)29)21(26-11-25-17)27-16-4-2-3-15(2
2)19(16)23/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H2,24,29)(H,25,26,27)/t12-/m0/s1 |
| InChIKey | LJQYPRWRCBYQIO-LBPRGKRZSA-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 | 23270153 |
| ChEMBL Link | CHEMBL380454 |
