| General Property |
| Molceule ID (DB) | EGIN0005162 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 8t |
| IUPAC Name | (S)-N-(4-(3-Chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-4-fluoropiperidine-1-carboxamide |
| Formula | C24H24ClF2N5O3 |
| Mass | 503.929 |
| Exact Mass | 503.153573776 |
| Composition | C (57.2%), H (4.8%), Cl (7.04%), F (7.54%), N (13.9%), O (9.52%) |
| Atom Count | 59 |
| PI | 8.01 |
| Smiles | [H]N(C(=O)N1C([H])([H])C([H])([H])C([H])(F)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/C24H24ClF2N5O3/c25-18-9-15(1-2-19(18)27)30-23-17-10-21(31-24(33)32-6-3-14(26)4-7-32)22(11-20(17)2
8-13-29-23)35-16-5-8-34-12-16/h1-2,9-11,13-14,16H,3-8,12H2,(H,31,33)(H,28,29,30)/t16-/m0/s1 |
| InChIKey | ISQFLEUXHWNACR-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 | - |
