| General Property |
| Molceule ID (DB) | EGIN0001876 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 19 compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-{5-[(2-methanesulfonylethoxy)methyl]furan-2-yl}quinazolin-4-amine |
| Formula | C29H25ClFN3O5S |
| Mass | 582.042 |
| Exact Mass | 581.1187475 |
| Composition | C (59.84%), H (4.33%), Cl (6.09%), F (3.26%), N (7.22%), O (13.74%), S (5.51%) |
| Atom Count | 65 |
| PI | 9.9 |
| Smiles | C(OCCS(=O)(=O)C)c1ccc(c2ccc3c(c2)c(ncn3)Nc2cc(c(cc2)OCc2cc(ccc2)F)Cl)o1 |
| InChI | 1S/C29H25ClFN3O5S/c1-40(35,36)12-11-37-17-23-7-10-27(39-23)20-5-8-26-24(14-20)29(33-18-32-26)34-22-6
-9-28(25(30)15-22)38-16-19-3-2-4-21(31)13-19/h2-10,13-15,18H,11-12,16-17H2,1H3,(H,32,33,34) |
| InChIKey | RMPVKBBFQRDYJT-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 |
9894581
|
| Drug Bank Link | - |
| ChemSpider Link | 8070251 |
| ChEMBL Link | CHEMBL215171 |
