| General Property |
| Molceule ID (DB) | EGIN0005158 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 8p |
| IUPAC Name | (S)-N-(4-(3-Chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-3-hydroxyazetidine-1-carboxamide |
| Formula | C22H21ClFN5O4 |
| Mass | 473.885 |
| Exact Mass | 473.126610097 |
| Composition | C (55.76%), H (4.47%), Cl (7.48%), F (4.01%), N (14.78%), O (13.5%) |
| Atom Count | 54 |
| PI | 8 |
| Smiles | [H]OC1([H])C([H])([H])N(C(=O)N([H])C2=C([H])C3=C(N=C([H])N=C3C([H])=C2O[C@]2([H])C([H])([H])OC([H])([H])C2([H])[H])N([H])C2=C([H])C(Cl)=C(F)C([H])=C2[H])C1([H])[H] |
| InChI | 1S/C22H21ClFN5O4/c23-16-5-12(1-2-17(16)24)27-21-15-6-19(28-22(31)29-8-13(30)9-29)20(7-18(15)25-11-26
-21)33-14-3-4-32-10-14/h1-2,5-7,11,13-14,30H,3-4,8-10H2,(H,28,31)(H,25,26,27)/t14-/m0/s1 |
| InChIKey | JTRXGTLYGPZLRF-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 | - |
