General Property |
Molceule ID (DB) | EGIN0003982 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 2b compound |
IUPAC Name | 6,7-diethoxy-N-[3-(1,3-thiazol-4-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 | 10.29 |
Smiles | c12c(ncnc1cc(c(c2)OCC)OCC)Nc1cc(c2ncsc2)ccc1 |
InChI | 1S/C21H20N4O2S/c1-3-26-19-9-16-17(10-20(19)27-4-2)22-12-23-21(16)25-15-7-5-6-14(8-15)18-11-28-13-24-
18/h5-13H,3-4H2,1-2H3,(H,22,23,25) |
InChIKey | HLIBFQDRDMBHNC-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 |
10287402
|
Drug Bank Link | DB02848 |
ChemSpider Link | 8462871 |
ChEMBL Link | CHEMBL127223 |