| General Property |
| Molceule ID (DB) | EGIN0004017 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 5r compound |
| IUPAC Name | 2-(6,7-diethoxy-4-{[3-(2-methyl-1,3-thiazol-4-yl)phenyl]amino}quinazolin-2-yl)acetic acid |
| Formula | C24H24N4O4S |
| Mass | 464.537 |
| Exact Mass | 464.151826 |
| Composition | C (62.05%), H (5.21%), N (12.06%), O (13.78%), S (6.9%) |
| Atom Count | 57 |
| PI | 3.92 |
| Smiles | c12c(nc(nc1cc(c(c2)OCC)OCC)CC(=O)O)Nc1cc(c2csc(n2)C)ccc1 |
| InChI | 1S/C24H24N4O4S/c1-4-31-20-10-17-18(11-21(20)32-5-2)27-22(12-23(29)30)28-24(17)26-16-8-6-7-15(9-16)19
-13-33-14(3)25-19/h6-11,13H,4-5,12H2,1-3H3,(H,29,30)(H,26,27,28) |
| InChIKey | XICSNJBVTZIFOD-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 |
10151782
|
| Drug Bank Link | - |
| ChemSpider Link | 8327290 |
| ChEMBL Link | CHEMBL341121 |
