| General Property |
| Molceule ID (DB) | EGIN0001863 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 3 compound |
| IUPAC Name | N-{4-[(3-fluorophenyl)methoxy]phenyl}-6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-2-yl)quinazolin-4-amine |
| Formula | C29H27FN4O4S |
| Mass | 546.612 |
| Exact Mass | 546.1737043 |
| Composition | C (63.72%), H (4.98%), F (3.48%), N (10.25%), O (11.71%), S (5.87%) |
| Atom Count | 66 |
| PI | 11.79 |
| Smiles | C(NCCS(=O)(=O)C)c1ccc(c2ccc3c(c2)c(ncn3)Nc2ccc(cc2)OCc2cc(ccc2)F)o1 |
| InChI | 1S/C29H27FN4O4S/c1-39(35,36)14-13-31-17-25-10-12-28(38-25)21-5-11-27-26(16-21)29(33-19-32-27)34-23-6
-8-24(9-7-23)37-18-20-3-2-4-22(30)15-20/h2-12,15-16,19,31H,13-14,17-18H2,1H3,(H,32,33,34) |
| InChIKey | RZEMPBRXCDBLDH-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 |
9893671
|
| Drug Bank Link | DB01259 |
| ChemSpider Link | 8069341 |
| ChEMBL Link | CHEMBL213818 |
