| General Property |
| Molceule ID (DB) | EGIN0004376 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | GW-2016 |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-7-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-2-yl)quinazolin-4-amine |
| Formula | C29H26ClFN4O4S |
| Mass | 581.058 |
| Exact Mass | 580.1347319 |
| Composition | C (59.94%), H (4.51%), Cl (6.1%), F (3.27%), N (9.64%), O (11.01%), S (5.52%) |
| Atom Count | 66 |
| PI | 11.6 |
| Smiles | c12ccc(cc1ncnc2Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)c1oc(cc1)CNCCS(=O)(=O)C |
| InChI | 1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-24-26(14-20)33-18-34-29(24)35-22-6
-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35) |
| InChIKey | KUUVRALHJIEEOL-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 | 15711537 |
| 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 |
44405048
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | CHEMBL6858 |
