General Property |
Molceule ID (DB) | EGIN0001891 |
Inhibitor Class | Anilino-quinoline |
Molecule Name in Refrence Article | 15 compound |
IUPAC Name | (2E)-4-(dimethylamino)-N-{7-ethoxy-4-[(4-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)amino]quinazolin-6-yl}but-2-enamide |
Formula | C23H25N5O5 |
Mass | 451.4751 |
Exact Mass | 451.1855689 |
Composition | C (61.19%), H (5.58%), N (15.51%), O (17.72%) |
Atom Count | 58 |
PI | 9.37 |
Smiles | c1(c(cc2c(c1)c(ncn2)NC1=CC(=O)C(=CC1=O)OC)OCC)NC(=O)/C=C/CN(C)C |
InChI | 1S/C23H25N5O5/c1-5-33-20-11-15-14(9-17(20)26-22(31)7-6-8-28(2)3)23(25-13-24-15)27-16-10-19(30)21(32-
4)12-18(16)29/h6-7,9-13H,5,8H2,1-4H3,(H,26,31)(H,24,25,27)/b7-6+ |
InChIKey | QYZCYYQLUANKGJ-VOTSOKGWSA-N |
2D Structure | ![](./image/EGIN0001891.png) | Structure Backbone | ![](./frame/f_EGIN0001891.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 |
16745310
|
Drug Bank Link | - |
ChemSpider Link | 20576548 |
ChEMBL Link | CHEMBL428039 |