| General Property |
| Molceule ID (DB) | EGIN0003999 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 3p compound |
| IUPAC Name | 6,7-diethoxy-N-[3-(1H-1,2,4-triazol-3-yl)phenyl]quinazolin-4-amine |
| Formula | C20H20N6O2 |
| Mass | 376.4118 |
| Exact Mass | 376.1647739 |
| Composition | C (63.82%), H (5.36%), N (22.33%), O (8.5%) |
| Atom Count | 48 |
| PI | 8.22 |
| Smiles | c12c(ncnc1cc(c(c2)OCC)OCC)Nc1cc(c2nc[nH]n2)ccc1 |
| InChI | 1S/C20H20N6O2/c1-3-27-17-9-15-16(10-18(17)28-4-2)21-11-22-20(15)25-14-7-5-6-13(8-14)19-23-12-24-26-1
9/h5-12H,3-4H2,1-2H3,(H,21,22,25)(H,23,24,26) |
| InChIKey | WGTILZRWWWHQLO-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 |
10215809
|
| Drug Bank Link | - |
| ChemSpider Link | 8391301 |
| ChEMBL Link | CHEMBL127367 |
