| General Property |
| Molceule ID (DB) | EGIN0001877 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 20 compound |
| IUPAC Name | 6-(5-{[2-(benzenesulfonyl)ethoxy]methyl}furan-2-yl)-N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}quinazolin-4-amine |
| Formula | C34H27ClFN3O5S |
| Mass | 644.112 |
| Exact Mass | 643.1343976 |
| Composition | C (63.4%), H (4.23%), Cl (5.5%), F (2.95%), N (6.52%), O (12.42%), S (4.98%) |
| Atom Count | 72 |
| PI | 9.89 |
| Smiles | C(OCCS(=O)(=O)c1ccccc1)c1ccc(c2ccc3c(c2)c(ncn3)Nc2cc(c(cc2)OCc2cc(ccc2)F)Cl)o1 |
| InChI | 1S/C34H27ClFN3O5S/c35-30-19-26(10-13-33(30)43-20-23-5-4-6-25(36)17-23)39-34-29-18-24(9-12-31(29)37-2
2-38-34)32-14-11-27(44-32)21-42-15-16-45(40,41)28-7-2-1-3-8-28/h1-14,17-19,22H,15-16,20-21H2,(H,37,3
8,39) |
| InChIKey | JLBVWHHVKVXOOR-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 |
9917474
|
| Drug Bank Link | - |
| ChemSpider Link | 8093121 |
| ChEMBL Link | CHEMBL212250 |
