| General Property |
| Molceule ID (DB) | EGIN0001894 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 18 compound |
| IUPAC Name | (2E)-N-[4-({4-[(3,4-difluorophenyl)methoxy]-3,6-dioxocyclohexa-1,4-dien-1-yl}amino)-7-ethoxyquinazolin-6-yl]-4-(dimethylamino)but-2-enamide |
| Formula | C29H27F2N5O5 |
| Mass | 563.552 |
| Exact Mass | 563.1980254 |
| Composition | C (61.81%), H (4.83%), F (6.74%), N (12.43%), O (14.2%) |
| Atom Count | 68 |
| PI | 9.37 |
| Smiles | c1(c(cc2c(c1)c(ncn2)NC1=CC(=O)C(=CC1=O)OCc1cc(c(cc1)F)F)OCC)NC(=O)/C=C/CN(C)C |
| InChI | 1S/C29H27F2N5O5/c1-4-40-26-13-21-18(11-23(26)34-28(39)6-5-9-36(2)3)29(33-16-32-21)35-22-12-25(38)27(
14-24(22)37)41-15-17-7-8-19(30)20(31)10-17/h5-8,10-14,16H,4,9,15H2,1-3H3,(H,34,39)(H,32,33,35)/b6-5+ |
| InChIKey | CCIOQSAJAUYKQV-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 |
44428889
|
| Drug Bank Link | - |
| ChemSpider Link | 23290740 |
| ChEMBL Link | CHEMBL243628 |
