| General Property |
| Molceule ID (DB) | EGIN0003981 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 2a compound |
| IUPAC Name | 6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine |
| Formula | C22H22N4O2S |
| Mass | 406.501 |
| Exact Mass | 406.1463467 |
| Composition | C (65%), H (5.46%), N (13.78%), O (7.87%), S (7.89%) |
| Atom Count | 51 |
| PI | 10.3 |
| Smiles | c12c(ncnc1cc(c(c2)OCC)OCC)Nc1cc(c2nc(sc2)C)ccc1 |
| InChI | 1S/C22H22N4O2S/c1-4-27-20-10-17-18(11-21(20)28-5-2)23-13-24-22(17)26-16-8-6-7-15(9-16)19-12-29-14(3)
25-19/h6-13H,4-5H2,1-3H3,(H,23,24,26) |
| InChIKey | IMZBSZFOSHTOBQ-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 |
10136035
|
| Drug Bank Link | DB02848 |
| ChemSpider Link | 8311548 |
| ChEMBL Link | CHEMBL126456 |
