| General Property |
| Molceule ID (DB) | EGIN0001873 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 13 compound |
| IUPAC Name | 6-[5-({[2-(benzenesulfonyl)ethyl]amino}methyl)furan-2-yl]-N-{4-[(3-fluorophenyl)methoxy]-3-(trifluoromethyl)phenyl}quinazolin-4-amine |
| Formula | C35H28F4N4O4S |
| Mass | 676.68 |
| Exact Mass | 676.1767389 |
| Composition | C (62.12%), H (4.17%), F (11.23%), N (8.28%), O (9.46%), S (4.74%) |
| Atom Count | 76 |
| PI | 11.56 |
| Smiles | C(NCCS(=O)(=O)c1ccccc1)c1ccc(c2ccc3c(c2)c(ncn3)Nc2cc(c(cc2)OCc2cc(ccc2)F)C(F)(F)F)o1 |
| InChI | 1S/C35H28F4N4O4S/c36-25-6-4-5-23(17-25)21-46-33-13-10-26(19-30(33)35(37,38)39)43-34-29-18-24(9-12-31
(29)41-22-42-34)32-14-11-27(47-32)20-40-15-16-48(44,45)28-7-2-1-3-8-28/h1-14,17-19,22,40H,15-16,20-2
1H2,(H,41,42,43) |
| InChIKey | BUMNYYHWWDVKRN-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 |
44416202
|
| Drug Bank Link | - |
| ChemSpider Link | 23275595 |
| ChEMBL Link | CHEMBL213790 |
