| General Property |
| Molceule ID (DB) | EGIN0004011 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 5i compound |
| IUPAC Name | 2-(3-chloropropyl)-6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine |
| Formula | C25H27ClN4O2S |
| Mass | 483.025 |
| Exact Mass | 482.1543245 |
| Composition | C (62.16%), H (5.63%), Cl (7.34%), N (11.6%), O (6.62%), S (6.64%) |
| Atom Count | 60 |
| PI | 10.72 |
| Smiles | c12c(nc(nc1cc(c(c2)OCC)OCC)CCCCl)Nc1cc(c2csc(n2)C)ccc1 |
| InChI | 1S/C25H27ClN4O2S/c1-4-31-22-13-19-20(14-23(22)32-5-2)29-24(10-7-11-26)30-25(19)28-18-9-6-8-17(12-18)
21-15-33-16(3)27-21/h6,8-9,12-15H,4-5,7,10-11H2,1-3H3,(H,28,29,30) |
| InChIKey | AYOJFONFAZWCIP-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 |
10152087
|
| Drug Bank Link | - |
| ChemSpider Link | 8327595 |
| ChEMBL Link | CHEMBL434253 |
