General Property |
Molceule ID (DB) | EGIN0003563 |
Inhibitor Class | Diselenobis-indole |
Molecule Name in Refrence Article | 22 compound |
IUPAC Name | 2-[(3-carboxy-1-methyl-1H-indol-2-yl)diselanyl]-1-methyl-1H-indole-3-carboxylic acid |
Formula | C20H16N2O4Se2 |
Mass | 506.27 |
Exact Mass | 507.9440507 |
Composition | C (47.45%), H (3.19%), N (5.53%), O (12.64%), Se (31.19%) |
Atom Count | 44 |
PI | No isoelectric point. |
Smiles | c1(c(c2c(n1C)cccc2)C(=O)O)[Se][Se]c1c(c2c(n1C)cccc2)C(=O)O |
InChI | 1S/C20H16N2O4Se2/c1-21-13-9-5-3-7-11(13)15(19(23)24)17(21)27-28-18-16(20(25)26)12-8-4-6-10-14(12)22(
18)2/h3-10H,1-2H3,(H,23,24)(H,25,26) |
InChIKey | HNEORRPIDMAPCB-UHFFFAOYSA-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 | 9046331 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | PDGFr | v-src | ALL |
Pub Chem Link |
-
|
Drug Bank Link | - |
ChemSpider Link | 4485266 |
ChEMBL Link | CHEMBL334915 |