General Property |
Molceule ID (DB) | EGIN0004032 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 3a compound |
IUPAC Name | N-{4-[(4,5-dichloro-2-fluorophenyl)amino]quinazolin-6-yl}-2-methoxyacetamide |
Formula | C17H13Cl2FN4O2 |
Mass | 395.215 |
Exact Mass | 394.0399593 |
Composition | C (51.66%), H (3.32%), Cl (17.94%), F (4.81%), N (14.18%), O (8.1%) |
Atom Count | 39 |
PI | 8.19 |
Smiles | c1(c2c(ncn1)ccc(c2)NC(=O)COC)Nc1cc(c(cc1F)Cl)Cl |
InChI | 1S/C17H13Cl2FN4O2/c1-26-7-16(25)23-9-2-3-14-10(4-9)17(22-8-21-14)24-15-6-12(19)11(18)5-13(15)20/h2-6
,8H,7H2,1H3,(H,23,25)(H,21,22,24) |
InChIKey | BOTQXVZWXJGWAV-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004032.png) | Structure Backbone | ![](./frame/f_EGIN0004032.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 | 16078851 |
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 |
10385997
|
Drug Bank Link | - |
ChemSpider Link | 8561439 |
ChEMBL Link | CHEMBL190651 |