| General Property |
| Molceule ID (DB) | EGIN0004012 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 5k compound |
| IUPAC Name | 6,7-diethoxy-2-(methanesulfonylmethyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine |
| Formula | C24H26N4O4S2 |
| Mass | 498.618 |
| Exact Mass | 498.1395467 |
| Composition | C (57.81%), H (5.26%), N (11.24%), O (12.83%), S (12.86%) |
| Atom Count | 60 |
| PI | 9.14 |
| Smiles | c12c(nc(nc1cc(c(c2)OCC)OCC)CS(=O)(=O)C)Nc1cc(c2csc(n2)C)ccc1 |
| InChI | 1S/C24H26N4O4S2/c1-5-31-21-11-18-19(12-22(21)32-6-2)27-23(14-34(4,29)30)28-24(18)26-17-9-7-8-16(10-1
7)20-13-33-15(3)25-20/h7-13H,5-6,14H2,1-4H3,(H,26,27,28) |
| InChIKey | IMZLZAMSILAENM-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 |
10195902
|
| Drug Bank Link | - |
| ChemSpider Link | 8371402 |
| ChEMBL Link | CHEMBL129424 |
