General Property |
Molceule ID (DB) | EGIN0004010 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 5h compound |
IUPAC Name | 2-(2-chloroethyl)-6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine |
Formula | C24H25ClN4O2S |
Mass | 468.999 |
Exact Mass | 468.1386745 |
Composition | C (61.46%), H (5.37%), Cl (7.56%), N (11.95%), O (6.82%), S (6.84%) |
Atom Count | 57 |
PI | 10.62 |
Smiles | c12c(nc(nc1cc(c(c2)OCC)OCC)CCCl)Nc1cc(c2csc(n2)C)ccc1 |
InChI | 1S/C24H25ClN4O2S/c1-4-30-21-12-18-19(13-22(21)31-5-2)28-23(9-10-25)29-24(18)27-17-8-6-7-16(11-17)20-
14-32-15(3)26-20/h6-8,11-14H,4-5,9-10H2,1-3H3,(H,27,28,29) |
InChIKey | NEBQNIGXWKTHNP-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004010.png) | Structure Backbone | ![](./frame/f_EGIN0004010.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 |
10238698
|
Drug Bank Link | - |
ChemSpider Link | 8414186 |
ChEMBL Link | CHEMBL339328 |