| General Property |
| Molceule ID (DB) | EGIN0003996 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 3i compound |
| IUPAC Name | 6,7-diethoxy-N-[3-(pyridin-2-yl)phenyl]quinazolin-4-amine |
| Formula | C23H22N4O2 |
| Mass | 386.4464 |
| Exact Mass | 386.174276 |
| Composition | C (71.48%), H (5.74%), N (14.5%), O (8.28%) |
| Atom Count | 51 |
| PI | 10.47 |
| Smiles | c12c(ncnc1cc(c(c2)OCC)OCC)Nc1cc(c2ccccn2)ccc1 |
| InChI | 1S/C23H22N4O2/c1-3-28-21-13-18-20(14-22(21)29-4-2)25-15-26-23(18)27-17-9-7-8-16(12-17)19-10-5-6-11-2
4-19/h5-15H,3-4H2,1-2H3,(H,25,26,27) |
| InChIKey | REALMOQLMJDTGU-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 |
10872751
|
| Drug Bank Link | - |
| ChemSpider Link | 9048030 |
| ChEMBL Link | CHEMBL125861 |
