| General Property |
| Molceule ID (DB) | EGIN0003992 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 3d compound |
| IUPAC Name | 6,7-diethoxy-N-[3-(1,3-thiazol-5-yl)phenyl]quinazolin-4-amine |
| Formula | C21H20N4O2S |
| Mass | 392.474 |
| Exact Mass | 392.1306966 |
| Composition | C (64.27%), H (5.14%), N (14.28%), O (8.15%), S (8.17%) |
| Atom Count | 48 |
| PI | 10.32 |
| Smiles | c12c(ncnc1cc(c(c2)OCC)OCC)Nc1cc(c2scnc2)ccc1 |
| InChI | 1S/C21H20N4O2S/c1-3-26-18-9-16-17(10-19(18)27-4-2)23-12-24-21(16)25-15-7-5-6-14(8-15)20-11-22-13-28-
20/h5-13H,3-4H2,1-2H3,(H,23,24,25) |
| InChIKey | NEVHAZBPBSUENX-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 | 12190310 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | F16BP | |
| Pub Chem Link |
10309561
|
| Drug Bank Link | - |
| ChemSpider Link | 8485027 |
| ChEMBL Link | CHEMBL340862 |
