| General Property |
| Molceule ID (DB) | EGIN0003984 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 2g compound |
| IUPAC Name | (4-{3-[(6,7-diethoxyquinazolin-4-yl)amino]phenyl}-1,3-thiazol-2-yl)methanol |
| Formula | C22H22N4O3S |
| Mass | 422.5 |
| Exact Mass | 422.1412613 |
| Composition | C (62.54%), H (5.25%), N (13.26%), O (11.36%), S (7.59%) |
| Atom Count | 52 |
| PI | 9.09 |
| Smiles | c12c(ncnc1cc(c(c2)OCC)OCC)Nc1cc(c2nc(sc2)CO)ccc1 |
| InChI | 1S/C22H22N4O3S/c1-3-28-19-9-16-17(10-20(19)29-4-2)23-13-24-22(16)25-15-7-5-6-14(8-15)18-12-30-21(11-
27)26-18/h5-10,12-13,27H,3-4,11H2,1-2H3,(H,23,24,25) |
| InChIKey | ZJESXGUODSBHSK-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 |
5740
|
| Drug Bank Link | DB02848 |
| ChemSpider Link | 5538 |
| ChEMBL Link | CHEMBL123678 |
