| General Property |
| Molceule ID (DB) | EGIN0001870 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 10 compound |
| IUPAC Name | N-{4-[(3-fluorophenyl)methoxy]-3-(trifluoromethyl)phenyl}-6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-2-yl)quinazolin-4-amine |
| Formula | C30H26F4N4O4S |
| Mass | 614.61 |
| Exact Mass | 614.1610889 |
| Composition | C (58.63%), H (4.26%), F (12.36%), N (9.12%), O (10.41%), S (5.22%) |
| Atom Count | 69 |
| PI | 11.59 |
| Smiles | C(NCCS(=O)(=O)C)c1ccc(c2ccc3c(c2)c(ncn3)Nc2cc(c(cc2)OCc2cc(ccc2)F)C(F)(F)F)o1 |
| InChI | 1S/C30H26F4N4O4S/c1-43(39,40)12-11-35-16-23-7-10-27(42-23)20-5-8-26-24(14-20)29(37-18-36-26)38-22-6-
9-28(25(15-22)30(32,33)34)41-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,35H,11-12,16-17H2,1H3,(H,36,37,3
8) |
| InChIKey | NAHPEMQMXDXGBZ-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 | 16777410 |
| 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 |
21951965
|
| Drug Bank Link | - |
| ChemSpider Link | 10707434 |
| ChEMBL Link | CHEMBL215814 |
