| General Property |
| Molceule ID (DB) | EGIN0001892 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 16 compound |
| IUPAC Name | (2E)-N-[4-({4-[(1,3-difluoropropan-2-yl)oxy]-3,6-dioxocyclohexa-1,4-dien-1-yl}amino)-7-ethoxyquinazolin-6-yl]-4-(dimethylamino)but-2-enamide |
| Formula | C25H27F2N5O5 |
| Mass | 515.5092 |
| Exact Mass | 515.1980254 |
| Composition | C (58.25%), H (5.28%), F (7.37%), N (13.59%), O (15.52%) |
| Atom Count | 64 |
| PI | 9.37 |
| Smiles | c1(c(cc2c(c1)c(ncn2)NC1=CC(=O)C(=CC1=O)OC(CF)CF)OCC)NC(=O)/C=C/CN(C)C |
| InChI | 1S/C25H27F2N5O5/c1-4-36-22-10-17-16(8-19(22)30-24(35)6-5-7-32(2)3)25(29-14-28-17)31-18-9-21(34)23(11
-20(18)33)37-15(12-26)13-27/h5-6,8-11,14-15H,4,7,12-13H2,1-3H3,(H,30,35)(H,28,29,31)/b6-5+ |
| InChIKey | DUIPPPAQSCDKSG-AATRIKPKSA-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 | 17416531 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | VEGFR2 | VEGFR2 | ALL |
| Pub Chem Link |
44428887
|
| Drug Bank Link | - |
| ChemSpider Link | 23290738 |
| ChEMBL Link | CHEMBL243410 |
