| General Property |
| Molceule ID (DB) | EGIN0001898 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 22 compound |
| IUPAC Name | (2E)-4-(dimethylamino)-N-(4-{[3,6-dioxo-4-(thiophen-2-ylmethoxy)cyclohexa-1,4-dien-1-yl]amino}-7-ethoxyquinazolin-6-yl)but-2-enamide |
| Formula | C27H27N5O5S |
| Mass | 533.599 |
| Exact Mass | 533.1732897 |
| Composition | C (60.77%), H (5.1%), N (13.12%), O (14.99%), S (6.01%) |
| Atom Count | 65 |
| PI | 9.37 |
| Smiles | c1(c(cc2c(c1)c(ncn2)NC1=CC(=O)C(=CC1=O)OCc1cccs1)OCC)NC(=O)/C=C/CN(C)C |
| InChI | 1S/C27H27N5O5S/c1-4-36-24-13-19-18(11-21(24)30-26(35)8-5-9-32(2)3)27(29-16-28-19)31-20-12-23(34)25(1
4-22(20)33)37-15-17-7-6-10-38-17/h5-8,10-14,16H,4,9,15H2,1-3H3,(H,30,35)(H,28,29,31)/b8-5+ |
| InChIKey | NZFPJFMKRLAGLA-VMPITWQZSA-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 |
44428895
|
| Drug Bank Link | - |
| ChemSpider Link | 23290746 |
| ChEMBL Link | CHEMBL243839 |
