| General Property |
| Molceule ID (DB) | EGIN0004018 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 5s compound |
| IUPAC Name | 6,7-diethoxy-2-(1H-imidazol-1-ylmethyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine |
| Formula | C26H26N6O2S |
| Mass | 486.589 |
| Exact Mass | 486.1837948 |
| Composition | C (64.18%), H (5.39%), N (17.27%), O (6.58%), S (6.59%) |
| Atom Count | 61 |
| PI | 11.4 |
| Smiles | c12c(nc(nc1cc(c(c2)OCC)OCC)Cn1cncc1)Nc1cc(c2csc(n2)C)ccc1 |
| InChI | 1S/C26H26N6O2S/c1-4-33-23-12-20-21(13-24(23)34-5-2)30-25(14-32-10-9-27-16-32)31-26(20)29-19-8-6-7-18
(11-19)22-15-35-17(3)28-22/h6-13,15-16H,4-5,14H2,1-3H3,(H,29,30,31) |
| InChIKey | RKLPKDNPVXSSSC-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 |
10174272
|
| Drug Bank Link | - |
| ChemSpider Link | 8349777 |
| ChEMBL Link | CHEMBL127647 |
