General Property |
Molceule ID (DB) | EGIN0000597 |
Inhibitor Class | Naphtho-furo-quinone |
Molecule Name in Refrence Article | 4 compound |
IUPAC Name | methyl (2R,11R)-20-methoxy-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 | C23H16O6 |
Mass | 388.3695 |
Exact Mass | 388.0946882 |
Composition | C (71.13%), H (4.15%), O (24.72%) |
Atom Count | 45 |
PI | 0.53 |
Smiles | c12c(cccc1)C(=O)[C@H]1[C@H](C2=O)c2c(O1)c1c(c(c2C(=O)OC)OC)cccc1 |
InChI | 1S/C23H16O6/c1-27-20-13-9-5-6-10-14(13)21-15(17(20)23(26)28-2)16-18(24)11-7-3-4-8-12(11)19(25)22(16)
29-21/h3-10,16,22H,1-2H3/t16-,22+/m0/s1 |
InChIKey | ZPUBYLOHHPCOQR-KSFYIVLOSA-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 | CHEMBL201840 |