| General Property |
| Molceule ID (DB) | EGIN0001878 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 21 compound |
| IUPAC Name | 6-[5-({[4-(benzenesulfonyl)butyl]amino}methyl)furan-2-yl]-N-[4-(benzyloxy)-3-chlorophenyl]quinazolin-4-amine |
| Formula | C36H33ClN4O4S |
| Mass | 653.19 |
| Exact Mass | 652.191104 |
| Composition | C (66.2%), H (5.09%), Cl (5.43%), N (8.58%), O (9.8%), S (4.91%) |
| Atom Count | 79 |
| PI | 12.35 |
| Smiles | C(c1ccc(c2ccc3c(c2)c(ncn3)Nc2cc(c(cc2)OCc2ccccc2)Cl)o1)NCCCCS(=O)(=O)c1ccccc1 |
| InChI | 1S/C36H33ClN4O4S/c37-32-22-28(14-17-35(32)44-24-26-9-3-1-4-10-26)41-36-31-21-27(13-16-33(31)39-25-40
-36)34-18-15-29(45-34)23-38-19-7-8-20-46(42,43)30-11-5-2-6-12-30/h1-6,9-18,21-22,25,38H,7-8,19-20,23
-24H2,(H,39,40,41) |
| InChIKey | SOFMGJHORUKREC-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 |
44416188
|
| Drug Bank Link | - |
| ChemSpider Link | 23275581 |
| ChEMBL Link | CHEMBL212201 |
