General Property |
Molceule ID (DB) | EGIN0004003 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 4g compound |
IUPAC Name | 6,7-diethoxy-N-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine |
Formula | C23H24N4O2S |
Mass | 420.527 |
Exact Mass | 420.1619967 |
Composition | C (65.69%), H (5.75%), N (13.32%), O (7.61%), S (7.62%) |
Atom Count | 54 |
PI | 10.43 |
Smiles | c12c(ncnc1cc(c(c2)OCC)OCC)Nc1cc(c2csc(n2)C)ccc1C |
InChI | 1S/C23H24N4O2S/c1-5-28-21-10-17-19(11-22(21)29-6-2)24-13-25-23(17)27-18-9-16(8-7-14(18)3)20-12-30-15
(4)26-20/h7-13H,5-6H2,1-4H3,(H,24,25,27) |
InChIKey | AQBBMJNDXMBSPF-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004003.png) | Structure Backbone | ![](./frame/f_EGIN0004003.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 |
11091092
|
Drug Bank Link | - |
ChemSpider Link | 9266237 |
ChEMBL Link | CHEMBL126310 |