| General Property |
| Molceule ID (DB) | EGIN0003986 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 2j compound |
| IUPAC Name | 6,7-diethoxy-N-{3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl}quinazolin-4-amine |
| Formula | C22H23N5O2S |
| Mass | 421.515 |
| Exact Mass | 421.1572457 |
| Composition | C (62.69%), H (5.5%), N (16.61%), O (7.59%), S (7.61%) |
| Atom Count | 53 |
| PI | 10.22 |
| Smiles | c12c(ncnc1cc(c(c2)OCC)OCC)Nc1cc(c2nc(sc2)NC)ccc1 |
| InChI | 1S/C22H23N5O2S/c1-4-28-19-10-16-17(11-20(19)29-5-2)24-13-25-21(16)26-15-8-6-7-14(9-15)18-12-30-22(23
-3)27-18/h6-13H,4-5H2,1-3H3,(H,23,27)(H,24,25,26) |
| InChIKey | HLIUJAVSRUBDBP-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 |
10216516
|
| Drug Bank Link | - |
| ChemSpider Link | 8392008 |
| ChEMBL Link | CHEMBL443033 |
