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 | ![](./image/EGIN0001892.png) | Structure Backbone | ![](./frame/f_EGIN0001892.png) |
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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
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Drug Bank Link | - |
ChemSpider Link | 23290738 |
ChEMBL Link | CHEMBL243410 |