General Property |
Molceule ID (DB) | EGIN0000601 |
Inhibitor Class | Naphtho-furo-quinone |
Molecule Name in Refrence Article | 8 compound |
IUPAC Name | methyl (2R,11R)-20-[2-(diethylamino)ethoxy]-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 | C28H27NO6 |
Mass | 473.5171 |
Exact Mass | 473.1838376 |
Composition | C (71.02%), H (5.75%), N (2.96%), O (20.27%) |
Atom Count | 62 |
PI | 6.69 |
Smiles | c12c(cccc1)C(=O)[C@H]1[C@H](C2=O)c2c(O1)c1c(c(c2C(=O)OC)OCCN(CC)CC)cccc1 |
InChI | 1S/C28H27NO6/c1-4-29(5-2)14-15-34-25-18-12-8-9-13-19(18)26-20(22(25)28(32)33-3)21-23(30)16-10-6-7-11
-17(16)24(31)27(21)35-26/h6-13,21,27H,4-5,14-15H2,1-3H3/t21-,27+/m0/s1 |
InChIKey | ZCAIYGGANJEFHB-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 | VEGFR2 | PDGFR beta | FGFR1 | VEGFR2 | FGFR1 | PDGFR beta | ALL |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | CHEMBL202162 |