| General Property |
| Molceule ID (DB) | EGIN0004000 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 3q compound |
| IUPAC Name | 6,7-diethoxy-N-[3-(pyrimidin-5-yl)phenyl]quinazolin-4-amine |
| Formula | C22H21N5O2 |
| Mass | 387.4344 |
| Exact Mass | 387.1695249 |
| Composition | C (68.2%), H (5.46%), N (18.08%), O (8.26%) |
| Atom Count | 50 |
| PI | 10.36 |
| Smiles | c12c(ncnc1cc(c(c2)OCC)OCC)Nc1cc(c2cncnc2)ccc1 |
| InChI | 1S/C22H21N5O2/c1-3-28-20-9-18-19(10-21(20)29-4-2)25-14-26-22(18)27-17-7-5-6-15(8-17)16-11-23-13-24-1
2-16/h5-14H,3-4H2,1-2H3,(H,25,26,27) |
| InChIKey | OCPACVFCWMESLD-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 |
10309491
|
| Drug Bank Link | - |
| ChemSpider Link | 8484957 |
| ChEMBL Link | CHEMBL126974 |
