| General Property |
| Molceule ID (DB) | EGIN0001874 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 14 compound |
| IUPAC Name | N-{4-[(3-fluorophenyl)methoxy]-3-(trifluoromethyl)phenyl}-6-[5-({[2-(pyridine-2-sulfonyl)ethyl]amino}methyl)furan-2-yl]quinazolin-4-amine |
| Formula | C34H27F4N5O4S |
| Mass | 677.668 |
| Exact Mass | 677.1719879 |
| Composition | C (60.26%), H (4.02%), F (11.21%), N (10.33%), O (9.44%), S (4.73%) |
| Atom Count | 75 |
| PI | 11.53 |
| Smiles | C(NCCS(=O)(=O)c1ncccc1)c1ccc(c2ccc3c(c2)c(ncn3)Nc2cc(c(cc2)OCc2cc(ccc2)F)C(F)(F)F)o1 |
| InChI | 1S/C34H27F4N5O4S/c35-24-5-3-4-22(16-24)20-46-31-11-8-25(18-28(31)34(36,37)38)43-33-27-17-23(7-10-29(
27)41-21-42-33)30-12-9-26(47-30)19-39-14-15-48(44,45)32-6-1-2-13-40-32/h1-13,16-18,21,39H,14-15,19-2
0H2,(H,41,42,43) |
| InChIKey | NXQXZOZVAHCESP-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 |
44416288
|
| Drug Bank Link | - |
| ChemSpider Link | 23275680 |
| ChEMBL Link | CHEMBL214023 |
