| General Property |
| Molceule ID (DB) | EGIN0005160 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 8r |
| IUPAC Name | (S)-N-(4-(3-Chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-3,3-difluoropyrrolidine-1-carboxamide |
| Formula | C23H21ClF3N5O3 |
| Mass | 507.893 |
| Exact Mass | 507.128501885 |
| Composition | C (54.39%), H (4.17%), Cl (6.98%), F (11.22%), N (13.79%), O (9.45%) |
| Atom Count | 56 |
| PI | 8 |
| Smiles | [H]N(C(=O)N1C([H])([H])C([H])([H])C(F)(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/C23H21ClF3N5O3/c24-16-7-13(1-2-17(16)25)30-21-15-8-19(31-22(33)32-5-4-23(26,27)11-32)20(9-18(15)2
8-12-29-21)35-14-3-6-34-10-14/h1-2,7-9,12,14H,3-6,10-11H2,(H,31,33)(H,28,29,30)/t14-/m0/s1 |
| InChIKey | SQWZVZOXRJHIJX-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 | 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 | - |
