| General Property |
| Molceule ID (DB) | EGIN0001879 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 22 compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(5-{[(2-methanesulfonylethyl)(propyl)amino]methyl}furan-2-yl)quinazolin-4-amine |
| Formula | C32H32ClFN4O4S |
| Mass | 623.137 |
| Exact Mass | 622.1816821 |
| Composition | C (61.68%), H (5.18%), Cl (5.69%), F (3.05%), N (8.99%), O (10.27%), S (5.15%) |
| Atom Count | 75 |
| PI | 11.43 |
| Smiles | C(N(CCS(=O)(=O)C)CCC)c1ccc(c2ccc3c(c2)c(ncn3)Nc2cc(c(cc2)OCc2cc(ccc2)F)Cl)o1 |
| InChI | 1S/C32H32ClFN4O4S/c1-3-13-38(14-15-43(2,39)40)19-26-9-12-30(42-26)23-7-10-29-27(17-23)32(36-21-35-29
)37-25-8-11-31(28(33)18-25)41-20-22-5-4-6-24(34)16-22/h4-12,16-18,21H,3,13-15,19-20H2,1-2H3,(H,35,36
,37) |
| InChIKey | LOWIJALPIWAMBK-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 |
9960734
|
| Drug Bank Link | - |
| ChemSpider Link | 8136341 |
| ChEMBL Link | CHEMBL212251 |
