| General Property |
| Molceule ID (DB) | EGIN0001881 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 24 compound |
| IUPAC Name | 6-(5-{[benzyl(2-methanesulfonylethyl)amino]methyl}furan-2-yl)-N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}quinazolin-4-amine |
| Formula | C36H32ClFN4O4S |
| Mass | 671.18 |
| Exact Mass | 670.1816821 |
| Composition | C (64.42%), H (4.81%), Cl (5.28%), F (2.83%), N (8.35%), O (9.54%), S (4.78%) |
| Atom Count | 79 |
| PI | 11.12 |
| Smiles | C(N(CCS(=O)(=O)C)Cc1ccccc1)c1ccc(c2ccc3c(c2)c(ncn3)Nc2cc(c(cc2)OCc2cc(ccc2)F)Cl)o1 |
| InChI | 1S/C36H32ClFN4O4S/c1-47(43,44)17-16-42(21-25-6-3-2-4-7-25)22-30-12-15-34(46-30)27-10-13-33-31(19-27)
36(40-24-39-33)41-29-11-14-35(32(37)20-29)45-23-26-8-5-9-28(38)18-26/h2-15,18-20,24H,16-17,21-23H2,1
H3,(H,39,40,41) |
| InChIKey | NVTIQCRSEMKCEN-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 |
9874613
|
| Drug Bank Link | - |
| ChemSpider Link | 8050302 |
| ChEMBL Link | CHEMBL445572 |
