| General Property |
| Molceule ID (DB) | EGIN0003991 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 3c compound |
| IUPAC Name | 2-{3-[(6,7-diethoxyquinazolin-4-yl)amino]phenyl}-1,3-thiazole-4-carboxamide |
| Formula | C22H21N5O3S |
| Mass | 435.499 |
| Exact Mass | 435.1365103 |
| Composition | C (60.67%), H (4.86%), N (16.08%), O (11.02%), S (7.36%) |
| Atom Count | 52 |
| PI | 9.47 |
| Smiles | c12cc(c(cc1ncnc2Nc1cc(ccc1)c1scc(n1)C(=O)N)OCC)OCC |
| InChI | 1S/C22H21N5O3S/c1-3-29-18-9-15-16(10-19(18)30-4-2)24-12-25-21(15)26-14-7-5-6-13(8-14)22-27-17(11-31-
22)20(23)28/h5-12H,3-4H2,1-2H3,(H2,23,28)(H,24,25,26) |
| InChIKey | WASADBIDTLVECC-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 |
10288090
|
| Drug Bank Link | - |
| ChemSpider Link | 8463559 |
| ChEMBL Link | CHEMBL126668 |
