| General Property |
| Molceule ID (DB) | EGIN0005165 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 8w |
| IUPAC Name | (S)-N-(4-(3-Chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide |
| Formula | C26H27ClFN5O5 |
| Mass | 543.974 |
| Exact Mass | 543.168474911 |
| Composition | C (57.41%), H (5%), Cl (6.52%), F (3.49%), N (12.87%), O (14.71%) |
| Atom Count | 65 |
| PI | 8.01 |
| Smiles | [H]N(C(=O)N1C([H])([H])C([H])([H])C2(OC([H])([H])C([H])([H])O2)C([H])([H])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/C26H27ClFN5O5/c27-19-11-16(1-2-20(19)28)31-24-18-12-22(23(13-21(18)29-15-30-24)38-17-3-8-35-14-17
)32-25(34)33-6-4-26(5-7-33)36-9-10-37-26/h1-2,11-13,15,17H,3-10,14H2,(H,32,34)(H,29,30,31)/t17-/m0/s
1 |
| InChIKey | YXSUNYVQHKBPDQ-KRWDZBQOSA-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 | - |
