| General Property |
| Molceule ID (DB) | EGIN0004009 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 5g compound |
| IUPAC Name | 2-(chloromethyl)-6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine |
| Formula | C23H23ClN4O2S |
| Mass | 454.972 |
| Exact Mass | 454.1230244 |
| Composition | C (60.72%), H (5.1%), Cl (7.79%), N (12.31%), O (7.03%), S (7.05%) |
| Atom Count | 54 |
| PI | 9.78 |
| Smiles | c12c(nc(nc1cc(c(c2)OCC)OCC)CCl)Nc1cc(c2csc(n2)C)ccc1 |
| InChI | 1S/C23H23ClN4O2S/c1-4-29-20-10-17-18(11-21(20)30-5-2)27-22(12-24)28-23(17)26-16-8-6-7-15(9-16)19-13-
31-14(3)25-19/h6-11,13H,4-5,12H2,1-3H3,(H,26,27,28) |
| InChIKey | YRJQRWYFLBAOCI-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 |
10906552
|
| Drug Bank Link | - |
| ChemSpider Link | 9081811 |
| ChEMBL Link | CHEMBL126466 |
