General Property |
Molceule ID (DB) | EGIN0003981 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 2a compound |
IUPAC Name | 6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine |
Formula | C22H22N4O2S |
Mass | 406.501 |
Exact Mass | 406.1463467 |
Composition | C (65%), H (5.46%), N (13.78%), O (7.87%), S (7.89%) |
Atom Count | 51 |
PI | 10.3 |
Smiles | c12c(ncnc1cc(c(c2)OCC)OCC)Nc1cc(c2nc(sc2)C)ccc1 |
InChI | 1S/C22H22N4O2S/c1-4-27-20-10-17-18(11-21(20)28-5-2)23-13-24-22(17)26-16-8-6-7-15(9-16)19-12-29-14(3)
25-19/h6-13H,4-5H2,1-3H3,(H,23,24,26) |
InChIKey | IMZBSZFOSHTOBQ-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 |
10136035
|
Drug Bank Link | DB02848 |
ChemSpider Link | 8311548 |
ChEMBL Link | CHEMBL126456 |