| General Property |
| Molceule ID (DB) | EGIN0005155 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 8m |
| IUPAC Name | S)-3-(4-(3-Chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-1-(2-(dimethylamino)ethyl)-1-methylurea |
| Formula | C24H28ClFN6O3 |
| Mass | 502.969 |
| Exact Mass | 502.189544704 |
| Composition | C (57.31%), H (5.61%), Cl (7.05%), F (3.78%), N (16.71%), O (9.54%) |
| Atom Count | 63 |
| PI | 10.05 |
| Smiles | [H]N(C(=O)N(C([H])([H])[H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([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/C24H28ClFN6O3/c1-31(2)7-8-32(3)24(33)30-21-11-17-20(12-22(21)35-16-6-9-34-13-16)27-14-28-23(17)29
-15-4-5-19(26)18(25)10-15/h4-5,10-12,14,16H,6-9,13H2,1-3H3,(H,30,33)(H,27,28,29)/t16-/m0/s1 |
| InChIKey | YYHFEFKIJAZQPJ-INIZCTEOSA-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 |
-
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
