| General Property |
| Molceule ID (DB) | EGIN0004003 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 4g compound |
| IUPAC Name | 6,7-diethoxy-N-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine |
| Formula | C23H24N4O2S |
| Mass | 420.527 |
| Exact Mass | 420.1619967 |
| Composition | C (65.69%), H (5.75%), N (13.32%), O (7.61%), S (7.62%) |
| Atom Count | 54 |
| PI | 10.43 |
| Smiles | c12c(ncnc1cc(c(c2)OCC)OCC)Nc1cc(c2csc(n2)C)ccc1C |
| InChI | 1S/C23H24N4O2S/c1-5-28-21-10-17-19(11-22(21)29-6-2)24-13-25-23(17)27-18-9-16(8-7-14(18)3)20-12-30-15
(4)26-20/h7-13H,5-6H2,1-4H3,(H,24,25,27) |
| InChIKey | AQBBMJNDXMBSPF-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 |
11091092
|
| Drug Bank Link | - |
| ChemSpider Link | 9266237 |
| ChEMBL Link | CHEMBL126310 |
