| General Property |
| Molceule ID (DB) | EGIN0001882 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 25 compound |
| IUPAC Name | 4-({5-[4-({4-[(3-fluorophenyl)methoxy]-3-(trifluoromethyl)phenyl}amino)quinazolin-6-yl]furan-2-yl}methyl)thiomorpholin-1-ium-1-olate |
| Formula | C31H26F4N4O3S |
| Mass | 610.622 |
| Exact Mass | 610.1661742 |
| Composition | C (60.98%), H (4.29%), F (12.45%), N (9.18%), O (7.86%), S (5.25%) |
| Atom Count | 69 |
| PI | 10.9 |
| Smiles | C(N1CC[S@@+](CC1)[O-])c1ccc(c2ccc3c(c2)c(ncn3)Nc2cc(c(cc2)OCc2cc(ccc2)F)C(F)(F)F)o1 |
| InChI | 1S/C31H26F4N4O3S/c32-22-3-1-2-20(14-22)18-41-29-8-5-23(16-26(29)31(33,34)35)38-30-25-15-21(4-7-27(25
)36-19-37-30)28-9-6-24(42-28)17-39-10-12-43(40)13-11-39/h1-9,14-16,19H,10-13,17-18H2,(H,36,37,38) |
| InChIKey | JZWRJCKVZCYRLF-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 |
9938805
|
| Drug Bank Link | - |
| ChemSpider Link | 8114430 |
| ChEMBL Link | CHEMBL377250 |
