| General Property |
| Molceule ID (DB) | EGIN0004004 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 4i compound |
| IUPAC Name | 6,7-diethoxy-N-[2-ethoxy-5-(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 | 9.52 |
| Smiles | c12c(ncnc1cc(c(c2)OCC)OCC)Nc1cc(c2csc(n2)C)ccc1OCC |
| InChI | 1S/C24H26N4O3S/c1-5-29-21-9-8-16(20-13-32-15(4)27-20)10-19(21)28-24-17-11-22(30-6-2)23(31-7-3)12-18(
17)25-14-26-24/h8-14H,5-7H2,1-4H3,(H,25,26,28) |
| InChIKey | VAUIVXCZTMIWGL-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 |
10895650
|
| Drug Bank Link | - |
| ChemSpider Link | 9070913 |
| ChEMBL Link | CHEMBL127159 |
