General Property |
Molceule ID (DB) | EGIN0004016 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 5q compound |
IUPAC Name | 6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(2-methylpropyl)quinazolin-4-amine |
Formula | C26H30N4O2S |
Mass | 462.607 |
Exact Mass | 462.2089469 |
Composition | C (67.5%), H (6.54%), N (12.11%), O (6.92%), S (6.93%) |
Atom Count | 63 |
PI | 10.71 |
Smiles | c12c(nc(nc1cc(c(c2)OCC)OCC)CC(C)C)Nc1cc(c2csc(n2)C)ccc1 |
InChI | 1S/C26H30N4O2S/c1-6-31-23-13-20-21(14-24(23)32-7-2)29-25(11-16(3)4)30-26(20)28-19-10-8-9-18(12-19)22
-15-33-17(5)27-22/h8-10,12-16H,6-7,11H2,1-5H3,(H,28,29,30) |
InChIKey | GFPOCNYTLFNRFU-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004016.png) | Structure Backbone | ![](./frame/f_EGIN0004016.png) |
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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 |
10173929
|
Drug Bank Link | - |
ChemSpider Link | 8349434 |
ChEMBL Link | CHEMBL127948 |