| General Property |
| Molceule ID (DB) | EGIN0000731 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 28 compound |
| IUPAC Name | 7-nitro-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine |
| Formula | C15H9F3N4O2 |
| Mass | 334.2528 |
| Exact Mass | 334.0677602 |
| Composition | C (53.9%), H (2.71%), F (17.05%), N (16.76%), O (9.57%) |
| Atom Count | 33 |
| PI | 8.28 |
| Smiles | c12c(cc(cc1)N(=O)=O)ncnc2Nc1cccc(c1)C(F)(F)F |
| InChI | 1S/C15H9F3N4O2/c16-15(17,18)9-2-1-3-10(6-9)21-14-12-5-4-11(22(23)24)7-13(12)19-8-20-14/h1-8H,(H,19,2
0,21) |
| InChIKey | VMGLSQQSTMVBST-UHFFFAOYSA-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 | 8568816 |
| 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 |
5328200
|
| Drug Bank Link | - |
| ChemSpider Link | 4485365 |
| ChEMBL Link | CHEMBL94432 |
