General Property |
Molceule ID (DB) | EGIN0000600 |
Inhibitor Class | Naphtho-furo-quinone |
Molecule Name in Refrence Article | 7 compound |
IUPAC Name | methyl (2R,11R)-20-[2-(dimethylamino)ethoxy]-3,10-dioxo-12-oxapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{14,19}]henicosa-1(13),4,6,8,14(19),15,17,20-octaene-21-carboxylate |
Formula | C26H23NO6 |
Mass | 445.4639 |
Exact Mass | 445.1525375 |
Composition | C (70.1%), H (5.2%), N (3.14%), O (21.55%) |
Atom Count | 56 |
PI | 6.42 |
Smiles | c12c(cccc1)C(=O)[C@H]1[C@H](C2=O)c2c(O1)c1c(c(c2C(=O)OC)OCCN(C)C)cccc1 |
InChI | 1S/C26H23NO6/c1-27(2)12-13-32-23-16-10-6-7-11-17(16)24-18(20(23)26(30)31-3)19-21(28)14-8-4-5-9-15(14
)22(29)25(19)33-24/h4-11,19,25H,12-13H2,1-3H3/t19-,25+/m0/s1 |
InChIKey | QEKGBIGZELYFMV-UQBPGWFLSA-N |
2D Structure | | Structure Backbone | |
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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 | 16321529 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | VEGFR2 | FGFR1 | PDGFR beta | FGFR1 | PDGFR beta | VEGFR2 | ALL |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | CHEMBL201865 |