| General Property |
| Molceule ID (DB) | EGIN0004010 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 5h compound |
| IUPAC Name | 2-(2-chloroethyl)-6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine |
| Formula | C24H25ClN4O2S |
| Mass | 468.999 |
| Exact Mass | 468.1386745 |
| Composition | C (61.46%), H (5.37%), Cl (7.56%), N (11.95%), O (6.82%), S (6.84%) |
| Atom Count | 57 |
| PI | 10.62 |
| Smiles | c12c(nc(nc1cc(c(c2)OCC)OCC)CCCl)Nc1cc(c2csc(n2)C)ccc1 |
| InChI | 1S/C24H25ClN4O2S/c1-4-30-21-12-18-19(13-22(21)31-5-2)28-23(9-10-25)29-24(18)27-17-8-6-7-16(11-17)20-
14-32-15(3)26-20/h6-8,11-14H,4-5,9-10H2,1-3H3,(H,27,28,29) |
| InChIKey | NEBQNIGXWKTHNP-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 |
10238698
|
| Drug Bank Link | - |
| ChemSpider Link | 8414186 |
| ChEMBL Link | CHEMBL339328 |
