General Property |
Molceule ID (DB) | EGIN0000598 |
Inhibitor Class | Naphtho-furo-quinone |
Molecule Name in Refrence Article | 5 compound |
IUPAC Name | methyl (2R,11R)-3,10-dioxo-20-propoxy-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 | C25H20O6 |
Mass | 416.4227 |
Exact Mass | 416.1259884 |
Composition | C (72.11%), H (4.84%), O (23.05%) |
Atom Count | 51 |
PI | 0.53 |
Smiles | c12c(cccc1)C(=O)[C@H]1[C@H](C2=O)c2c(O1)c1c(c(c2C(=O)OC)OCCC)cccc1 |
InChI | 1S/C25H20O6/c1-3-12-30-22-15-10-6-7-11-16(15)23-17(19(22)25(28)29-2)18-20(26)13-8-4-5-9-14(13)21(27)
24(18)31-23/h4-11,18,24H,3,12H2,1-2H3/t18-,24+/m0/s1 |
InChIKey | JZODWTUUNXCKME-MHECFPHRSA-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 | FGFR1 | PDGFR beta | VEGFR2 | FGFR1 | PDGFR beta | ALL |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | CHEMBL202216 |