General Property |
Molceule ID (DB) | EGIN0001907 |
Inhibitor Class | Anilino-quinoline |
Molecule Name in Refrence Article | 33 compound |
IUPAC Name | 2-(benzyloxy)-5-{[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino}cyclohexa-2,5-diene-1,4-dione |
Formula | C25H23N3O6 |
Mass | 461.4666 |
Exact Mass | 461.1586855 |
Composition | C (65.07%), H (5.02%), N (9.11%), O (20.8%) |
Atom Count | 57 |
PI | 6.61 |
Smiles | c1(c(cc2c(c1)c(ncn2)NC1=CC(=O)C(=CC1=O)OCc1ccccc1)OCCOC)OC |
InChI | 1S/C25H23N3O6/c1-31-8-9-33-24-12-18-17(10-23(24)32-2)25(27-15-26-18)28-19-11-21(30)22(13-20(19)29)34
-14-16-6-4-3-5-7-16/h3-7,10-13,15H,8-9,14H2,1-2H3,(H,26,27,28) |
InChIKey | TXBSQQYNCZSLPI-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001907.png) | Structure Backbone | ![](./frame/f_EGIN0001907.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 |
11532718
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Drug Bank Link | - |
ChemSpider Link | 9707501 |
ChEMBL Link | CHEMBL242555 |