| General Property |
| Molceule ID (DB) | EGIN0004007 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 5c compound |
| IUPAC Name | 6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-propylquinazolin-4-amine |
| Formula | C25H28N4O2S |
| Mass | 448.58 |
| Exact Mass | 448.1932969 |
| Composition | C (66.94%), H (6.29%), N (12.49%), O (7.13%), S (7.15%) |
| Atom Count | 60 |
| PI | 10.73 |
| Smiles | c12c(nc(nc1cc(c(c2)OCC)OCC)CCC)Nc1cc(c2csc(n2)C)ccc1 |
| InChI | 1S/C25H28N4O2S/c1-5-9-24-28-20-14-23(31-7-3)22(30-6-2)13-19(20)25(29-24)27-18-11-8-10-17(12-18)21-15
-32-16(4)26-21/h8,10-15H,5-7,9H2,1-4H3,(H,27,28,29) |
| InChIKey | PXCLDPNPNKAPIJ-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 |
10127495
|
| Drug Bank Link | - |
| ChemSpider Link | 8303014 |
| ChEMBL Link | CHEMBL125527 |
