General Property |
Molceule ID (DB) | EGIN0004005 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 5a compound |
IUPAC Name | 6,7-diethoxy-2-methyl-N-[3-(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 | 10.86 |
Smiles | c1(c2c(nc(n1)C)cc(c(c2)OCC)OCC)Nc1cc(c2nc(sc2)C)ccc1 |
InChI | 1S/C23H24N4O2S/c1-5-28-21-11-18-19(12-22(21)29-6-2)24-14(3)25-23(18)27-17-9-7-8-16(10-17)20-13-30-15
(4)26-20/h7-13H,5-6H2,1-4H3,(H,24,25,27) |
InChIKey | INMBKJSYCMSQID-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004005.png) | Structure Backbone | ![](./frame/f_EGIN0004005.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 |
10194617
|
Drug Bank Link | - |
ChemSpider Link | 8370117 |
ChEMBL Link | CHEMBL128027 |