General Property |
Molceule ID (DB) | EGIN0004130 |
Inhibitor Class | Pyrrole-dione |
Molecule Name in Refrence Article | 26 compound |
IUPAC Name | 4-{1-[(benzyloxy)methyl]-1H-indol-3-yl}-3-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one |
Formula | C29H28N2O5 |
Mass | 484.543 |
Exact Mass | 484.199822 |
Composition | C (71.88%), H (5.82%), N (5.78%), O (16.51%) |
Atom Count | 64 |
PI | 7.23 |
Smiles | C1(=C(CNC1=O)c1cn(c2c1cccc2)COCc1ccccc1)c1cc(c(c(c1)OC)OC)OC |
InChI | 1S/C29H28N2O5/c1-33-25-13-20(14-26(34-2)28(25)35-3)27-22(15-30-29(27)32)23-16-31(24-12-8-7-11-21(23)
24)18-36-17-19-9-5-4-6-10-19/h4-14,16H,15,17-18H2,1-3H3,(H,30,32) |
InChIKey | PRGQUWCDXPFMCG-UHFFFAOYSA-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 | 18529047 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | TIE2 | VEGFR3 | VEGFR2 | IGF1R | FLT3 | EPHB4 | FAK | SRC | ALL |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 23329598 |
ChEMBL Link | CHEMBL453336 |