General Property |
Molceule ID (DB) | EGIN0004021 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 6o compound |
IUPAC Name | 6-ethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-7-propoxyquinazolin-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 | 10.29 |
Smiles | c12c(ncnc1cc(c(c2)OCC)OCCC)Nc1cc(c2csc(n2)C)ccc1 |
InChI | 1S/C23H24N4O2S/c1-4-9-29-22-12-19-18(11-21(22)28-5-2)23(25-14-24-19)27-17-8-6-7-16(10-17)20-13-30-15
(3)26-20/h6-8,10-14H,4-5,9H2,1-3H3,(H,24,25,27) |
InChIKey | OKLQGXLTHJASKY-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004021.png) | Structure Backbone | ![](./frame/f_EGIN0004021.png) |
|
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 |
10173309
|
Drug Bank Link | - |
ChemSpider Link | 8348814 |
ChEMBL Link | CHEMBL338533 |