General Property |
Molceule ID (DB) | EGIN0000611 |
Inhibitor Class | Naphtho-furo-quinone |
Molecule Name in Refrence Article | 18 compound |
IUPAC Name | methyl (2R,11R)-3,10-dioxo-20-(pyridin-4-ylmethoxy)-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 | C28H19NO6 |
Mass | 465.4536 |
Exact Mass | 465.1212373 |
Composition | C (72.25%), H (4.11%), N (3.01%), O (20.62%) |
Atom Count | 54 |
PI | 5.24 |
Smiles | c12c(cccc1)C(=O)[C@H]1[C@H](C2=O)c2c(O1)c1c(c(c2C(=O)OC)OCc2ccncc2)cccc1 |
InChI | 1S/C28H19NO6/c1-33-28(32)22-20-21-23(30)16-6-2-3-7-17(16)24(31)27(21)35-26(20)19-9-5-4-8-18(19)25(22
)34-14-15-10-12-29-13-11-15/h2-13,21,27H,14H2,1H3/t21-,27+/m0/s1 |
InChIKey | JVGJWHHTSPNYFY-KDYSTLNUSA-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 | ALL |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |