| General Property |
| Molceule ID (DB) | EGIN0001866 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 6 compound |
| IUPAC Name | N-[4-(benzyloxy)-3-chlorophenyl]-6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-2-yl)quinazolin-4-amine |
| Formula | C29H27ClN4O4S |
| Mass | 563.067 |
| Exact Mass | 562.1441538 |
| Composition | C (61.86%), H (4.83%), Cl (6.3%), N (9.95%), O (11.37%), S (5.69%) |
| Atom Count | 66 |
| PI | 11.58 |
| Smiles | C(NCCS(=O)(=O)C)c1ccc(c2ccc3c(c2)c(ncn3)Nc2cc(c(cc2)OCc2ccccc2)Cl)o1 |
| InChI | 1S/C29H27ClN4O4S/c1-39(35,36)14-13-31-17-23-9-12-27(38-23)21-7-10-26-24(15-21)29(33-19-32-26)34-22-8
-11-28(25(30)16-22)37-18-20-5-3-2-4-6-20/h2-12,15-16,19,31H,13-14,17-18H2,1H3,(H,32,33,34) |
| InChIKey | HTIFVTQSFKUCDX-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 |
9872621
|
| Drug Bank Link | DB01259 |
| ChemSpider Link | 8048310 |
| ChEMBL Link | CHEMBL380247 |
