General Property |
Molceule ID (DB) | EGIN0001191 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 19 compound |
IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)amino]-7-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}quinazolin-6-yl}prop-2-enamide |
Formula | C24H26ClFN4O5 |
Mass | 504.938 |
Exact Mass | 504.1575759 |
Composition | C (57.09%), H (5.19%), Cl (7.02%), F (3.76%), N (11.1%), O (15.84%) |
Atom Count | 61 |
PI | 8.48 |
Smiles | COCCOCCOCCOc1c(NC(=O)C=C)cc2c(Nc3cc(Cl)c(F)cc3)ncnc2c1 |
InChI | 1S/C24H26ClFN4O5/c1-3-23(31)30-21-13-17-20(14-22(21)35-11-10-34-9-8-33-7-6-32-2)27-15-28-24(17)29-16
-4-5-19(26)18(25)12-16/h3-5,12-15H,1,6-11H2,2H3,(H,30,31)(H,27,28,29) |
InChIKey | UDULKYLJVMTWGE-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
|
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 | 10956451 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | No activity data against other kinases present in database |
Pub Chem Link |
-
|
Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |