| General Property |
| Molceule ID (DB) | EGIN0001869 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 9 compound |
| IUPAC Name | N-[4-(benzyloxy)-3-(trifluoromethyl)phenyl]-6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-2-yl)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 | 11.59 |
| Smiles | C(NCCS(=O)(=O)C)c1ccc(c2ccc3c(c2)c(ncn3)Nc2cc(c(cc2)OCc2ccccc2)C(F)(F)F)o1 |
| InChI | 1S/C30H27F3N4O4S/c1-42(38,39)14-13-34-17-23-9-12-27(41-23)21-7-10-26-24(15-21)29(36-19-35-26)37-22-8
-11-28(25(16-22)30(31,32)33)40-18-20-5-3-2-4-6-20/h2-12,15-16,19,34H,13-14,17-18H2,1H3,(H,35,36,37) |
| InChIKey | HBNMFZZQCIPDOK-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 |
9830092
|
| Drug Bank Link | - |
| ChemSpider Link | 8005827 |
| ChEMBL Link | CHEMBL387207 |
