| General Property |
| Molceule ID (DB) | EGIN0000609 |
| Inhibitor Class | Naphtho-furo-quinone |
| Molecule Name in Refrence Article | 16 compound |
| IUPAC Name | methyl (2R,11R)-3,10-dioxo-20-{[4-(trifluoromethyl)phenyl]methoxy}-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 | C30H19F3O6 |
| Mass | 532.4635 |
| Exact Mass | 532.113373 |
| Composition | C (67.67%), H (3.6%), F (10.7%), O (18.03%) |
| Atom Count | 58 |
| PI | 0.51 |
| Smiles | c12c(cccc1)C(=O)[C@H]1[C@H](C2=O)c2c(O1)c1c(c(c2C(=O)OC)OCc2ccc(cc2)C(F)(F)F)cccc1 |
| InChI | 1S/C30H19F3O6/c1-37-29(36)23-21-22-24(34)17-6-2-3-7-18(17)25(35)28(22)39-27(21)20-9-5-4-8-19(20)26(2
3)38-14-15-10-12-16(13-11-15)30(31,32)33/h2-13,22,28H,14H2,1H3/t22-,28+/m0/s1 |
| InChIKey | IUKUDYRUXSWVQV-RBISFHTESA-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 | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
