| General Property |
| Molceule ID (DB) | EGIN0004013 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 5l compound |
| IUPAC Name | 6,7-diethoxy-2-(methoxymethyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine |
| Formula | C24H26N4O3S |
| Mass | 450.553 |
| Exact Mass | 450.1725614 |
| Composition | C (63.98%), H (5.82%), N (12.44%), O (10.65%), S (7.12%) |
| Atom Count | 58 |
| PI | 9.6 |
| Smiles | c12c(nc(nc1cc(c(c2)OCC)OCC)COC)Nc1cc(c2csc(n2)C)ccc1 |
| InChI | 1S/C24H26N4O3S/c1-5-30-21-11-18-19(12-22(21)31-6-2)27-23(13-29-4)28-24(18)26-17-9-7-8-16(10-17)20-14
-32-15(3)25-20/h7-12,14H,5-6,13H2,1-4H3,(H,26,27,28) |
| InChIKey | XAXGDINQGNHINN-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 |
11059421
|
| Drug Bank Link | - |
| ChemSpider Link | 9234578 |
| ChEMBL Link | CHEMBL129713 |
