| General Property |
| Molceule ID (DB) | EGIN0001226 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 1a compound |
| IUPAC Name | 2-chloro-N-{4-[(4,5-dichloro-2-fluorophenyl)amino]-7-(2-fluoroethoxy)quinazolin-6-yl}acetamide |
| Formula | C18H13Cl3F2N4O2 |
| Mass | 461.677 |
| Exact Mass | 460.0072152 |
| Composition | C (46.83%), H (2.84%), Cl (23.04%), F (8.23%), N (12.14%), O (6.93%) |
| Atom Count | 42 |
| PI | 8.02 |
| Smiles | c12c(cc(c(c1)NC(=O)CCl)OCCF)ncnc2Nc1c(cc(c(c1)Cl)Cl)F |
| InChI | 1S/C18H13Cl3F2N4O2/c19-7-17(28)26-15-3-9-13(6-16(15)29-2-1-22)24-8-25-18(9)27-14-5-11(21)10(20)4-12(
14)23/h3-6,8H,1-2,7H2,(H,26,28)(H,24,25,27) |
| InChIKey | RDWJSJLVCCXQLP-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 | 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 | - |
