General Property |
Molceule ID (DB) | EGIN0004008 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 5d compound |
IUPAC Name | 6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(propan-2-yl)quinazolin-4-amine |
Formula | C25H28N4O2S |
Mass | 448.58 |
Exact Mass | 448.1932969 |
Composition | C (66.94%), H (6.29%), N (12.49%), O (7.13%), S (7.15%) |
Atom Count | 60 |
PI | 10.65 |
Smiles | c12c(nc(nc1cc(c(c2)OCC)OCC)C(C)C)Nc1cc(c2csc(n2)C)ccc1 |
InChI | 1S/C25H28N4O2S/c1-6-30-22-12-19-20(13-23(22)31-7-2)28-24(15(3)4)29-25(19)27-18-10-8-9-17(11-18)21-14
-32-16(5)26-21/h8-15H,6-7H2,1-5H3,(H,27,28,29) |
InChIKey | QCCLOAGASFLPHC-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 |
10238429
|
Drug Bank Link | - |
ChemSpider Link | 8413917 |
ChEMBL Link | CHEMBL125526 |