General Property |
Molceule ID (DB) | EGIN0001227 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 1b compound |
IUPAC Name | 2-chloro-N-{4-[(4,5-dichloro-2-fluorophenyl)amino]-7-(4-fluorobutoxy)quinazolin-6-yl}acetamide |
Formula | C20H17Cl3F2N4O2 |
Mass | 489.73 |
Exact Mass | 488.0385153 |
Composition | C (49.05%), H (3.5%), Cl (21.72%), F (7.76%), N (11.44%), O (6.53%) |
Atom Count | 48 |
PI | 8.03 |
Smiles | c12c(cc(c(c1)NC(=O)CCl)OCCCCF)ncnc2Nc1c(cc(c(c1)Cl)Cl)F |
InChI | 1S/C20H17Cl3F2N4O2/c21-9-19(30)28-17-5-11-15(8-18(17)31-4-2-1-3-24)26-10-27-20(11)29-16-7-13(23)12(2
2)6-14(16)25/h5-8,10H,1-4,9H2,(H,28,30)(H,26,27,29) |
InChIKey | GCSMCMIFUUOKJX-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001227.png) | Structure Backbone | ![](./frame/f_EGIN0001227.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 | 17574425 |
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 | - |