| General Property |
| Molceule ID (DB) | EGIN0000607 |
| Inhibitor Class | Naphtho-furo-quinone |
| Molecule Name in Refrence Article | 14 compound |
| IUPAC Name | methyl (2R,11R)-3,10-dioxo-20-[2-(4-{[4-(trifluoromethyl)phenyl]methyl}piperazin-1-yl)ethoxy]-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 | C36H31F3N2O6 |
| Mass | 644.6363 |
| Exact Mass | 644.2134213 |
| Composition | C (67.07%), H (4.85%), F (8.84%), N (4.35%), O (14.89%) |
| Atom Count | 78 |
| PI | 6.64 |
| Smiles | c12c(cccc1)C(=O)[C@H]1[C@H](C2=O)c2c(O1)c1c(c(c2C(=O)OC)OCCN2CCN(CC2)Cc2ccc(cc2)C(F)(F)F)cccc1 |
| InChI | 1S/C36H31F3N2O6/c1-45-35(44)29-27-28-30(42)23-6-2-3-7-24(23)31(43)34(28)47-33(27)26-9-5-4-8-25(26)32
(29)46-19-18-40-14-16-41(17-15-40)20-21-10-12-22(13-11-21)36(37,38)39/h2-13,28,34H,14-20H2,1H3/t28-,
34+/m0/s1 |
| InChIKey | CJGQIWGWWGCTNP-IPZQJPLYSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| 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 |
-
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
