| General Property |
| Molceule ID (DB) | EGIN0003985 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 2i compound |
| IUPAC Name | N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-6,7-diethoxyquinazolin-4-amine |
| Formula | C21H21N5O2S |
| Mass | 407.489 |
| Exact Mass | 407.1415956 |
| Composition | C (61.9%), H (5.19%), N (17.19%), O (7.85%), S (7.87%) |
| Atom Count | 50 |
| PI | 10.32 |
| Smiles | c12c(ncnc1cc(c(c2)OCC)OCC)Nc1cc(c2nc(sc2)N)ccc1 |
| InChI | 1S/C21H21N5O2S/c1-3-27-18-9-15-16(10-19(18)28-4-2)23-12-24-20(15)25-14-7-5-6-13(8-14)17-11-29-21(22)
26-17/h5-12H,3-4H2,1-2H3,(H2,22,26)(H,23,24,25) |
| InChIKey | GOHZFDZYDZGWHC-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 |
10216257
|
| Drug Bank Link | - |
| ChemSpider Link | 8391749 |
| ChEMBL Link | CHEMBL340660 |
