| General Property |
| Molceule ID (DB) | EGIN0005159 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 8q |
| IUPAC Name | (S)-N-(4-(3-Chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-3-fluoroazetidine-1-carboxamide |
| Formula | C22H20ClF2N5O3 |
| Mass | 475.876 |
| Exact Mass | 475.122273648 |
| Composition | C (55.53%), H (4.24%), Cl (7.45%), F (7.98%), N (14.72%), O (10.09%) |
| Atom Count | 53 |
| PI | 8 |
| Smiles | [H]N(C(=O)N1C([H])([H])C([H])(F)C1([H])[H])C1=C([H])C2=C(N=C([H])N=C2C([H])=C1O[C@]1([H])C([H])([H])OC([H])([H])C1([H])[H])N([H])C1=C([H])C(Cl)=C(F)C([H])=C1[H] |
| InChI | 1S/C22H20ClF2N5O3/c23-16-5-13(1-2-17(16)25)28-21-15-6-19(29-22(31)30-8-12(24)9-30)20(7-18(15)26-11-2
7-21)33-14-3-4-32-10-14/h1-2,5-7,11-12,14H,3-4,8-10H2,(H,29,31)(H,26,27,28)/t14-/m0/s1 |
| InChIKey | ZWVMSTKIWUSDSK-AWEZNQCLSA-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 | 24183742 |
| 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 | - |
| ChEMBL Link | - |
