General Property |
Molceule ID (DB) | EGIN0003564 |
Inhibitor Class | Diselenobis-indole |
Molecule Name in Refrence Article | 23 compound |
IUPAC Name | N,1-dimethyl-2-{[1-methyl-3-(methylcarbamoyl)-1H-indol-2-yl]diselanyl}-1H-indole-3-carboxamide |
Formula | C22H22N4O2Se2 |
Mass | 532.36 |
Exact Mass | 534.0073196 |
Composition | C (49.63%), H (4.17%), N (10.52%), O (6.01%), Se (29.66%) |
Atom Count | 52 |
PI | 5.89 |
Smiles | c1(c(c2c(n1C)cccc2)C(=O)NC)[Se][Se]c1c(c2c(n1C)cccc2)C(=O)NC |
InChI | 1S/C22H22N4O2Se2/c1-23-19(27)17-13-9-5-7-11-15(13)25(3)21(17)29-30-22-18(20(28)24-2)14-10-6-8-12-16(
14)26(22)4/h5-12H,1-4H3,(H,23,27)(H,24,28) |
InChIKey | KKTAXCWCKSLCHF-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 | 9046331 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | v-src | PDGFr | ALL |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 4485267 |
ChEMBL Link | CHEMBL137422 |