| General Property |
| Molceule ID (DB) | EGIN0003990 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 3b compound |
| IUPAC Name | 6,7-diethoxy-N-[3-(4-methyl-1,3-thiazol-2-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 | 10.24 |
| Smiles | c12cc(c(cc1ncnc2Nc1cc(ccc1)c1scc(n1)C)OCC)OCC |
| InChI | 1S/C22H22N4O2S/c1-4-27-19-10-17-18(11-20(19)28-5-2)23-13-24-21(17)26-16-8-6-7-15(9-16)22-25-14(3)12-
29-22/h6-13H,4-5H2,1-3H3,(H,23,24,26) |
| InChIKey | SSEAWJZDUNEHNN-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 |
10194393
|
| Drug Bank Link | - |
| ChemSpider Link | 8369893 |
| ChEMBL Link | CHEMBL129592 |
