General Property |
Molceule ID (DB) | EGIN0003992 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 3d compound |
IUPAC Name | 6,7-diethoxy-N-[3-(1,3-thiazol-5-yl)phenyl]quinazolin-4-amine |
Formula | C21H20N4O2S |
Mass | 392.474 |
Exact Mass | 392.1306966 |
Composition | C (64.27%), H (5.14%), N (14.28%), O (8.15%), S (8.17%) |
Atom Count | 48 |
PI | 10.32 |
Smiles | c12c(ncnc1cc(c(c2)OCC)OCC)Nc1cc(c2scnc2)ccc1 |
InChI | 1S/C21H20N4O2S/c1-3-26-18-9-16-17(10-19(18)27-4-2)23-12-24-21(16)25-15-7-5-6-14(8-15)20-11-22-13-28-
20/h5-13H,3-4H2,1-2H3,(H,23,24,25) |
InChIKey | NEVHAZBPBSUENX-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
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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 |
10309561
|
Drug Bank Link | - |
ChemSpider Link | 8485027 |
ChEMBL Link | CHEMBL340862 |