| General Property |
| Molceule ID (DB) | EGIN0004016 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 5q compound |
| IUPAC Name | 6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(2-methylpropyl)quinazolin-4-amine |
| Formula | C26H30N4O2S |
| Mass | 462.607 |
| Exact Mass | 462.2089469 |
| Composition | C (67.5%), H (6.54%), N (12.11%), O (6.92%), S (6.93%) |
| Atom Count | 63 |
| PI | 10.71 |
| Smiles | c12c(nc(nc1cc(c(c2)OCC)OCC)CC(C)C)Nc1cc(c2csc(n2)C)ccc1 |
| InChI | 1S/C26H30N4O2S/c1-6-31-23-13-20-21(14-24(23)32-7-2)29-25(11-16(3)4)30-26(20)28-19-10-8-9-18(12-19)22
-15-33-17(5)27-22/h8-10,12-16H,6-7,11H2,1-5H3,(H,28,29,30) |
| InChIKey | GFPOCNYTLFNRFU-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 |
10173929
|
| Drug Bank Link | - |
| ChemSpider Link | 8349434 |
| ChEMBL Link | CHEMBL127948 |
