| General Property |
| Molceule ID (DB) | EGIN0001865 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 5 compound |
| IUPAC Name | 6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-2-yl)-N-(4-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)quinazolin-4-amine |
| Formula | C30H27F3N4O4S |
| Mass | 596.62 |
| Exact Mass | 596.1705107 |
| Composition | C (60.39%), H (4.56%), F (9.55%), N (9.39%), O (10.73%), S (5.37%) |
| Atom Count | 69 |
| PI | 11.79 |
| Smiles | C(NCCS(=O)(=O)C)c1ccc(c2ccc3c(c2)c(ncn3)Nc2ccc(cc2)OCc2cc(ccc2)C(F)(F)F)o1 |
| InChI | 1S/C30H27F3N4O4S/c1-42(38,39)14-13-34-17-25-10-12-28(41-25)21-5-11-27-26(16-21)29(36-19-35-27)37-23-
6-8-24(9-7-23)40-18-20-3-2-4-22(15-20)30(31,32)33/h2-12,15-16,19,34H,13-14,17-18H2,1H3,(H,35,36,37) |
| InChIKey | AERGSELXAOHCKG-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 |
9808725
|
| Drug Bank Link | - |
| ChemSpider Link | 7984484 |
| ChEMBL Link | CHEMBL214419 |
