General Property |
Molceule ID (DB) | EGIN0002649 |
Inhibitor Class | Dithiobis-indole |
Molecule Name in Refrence Article | 10e compound |
IUPAC Name | 3-(2-{[3-(2-carbamoylethyl)-1H-indol-2-yl]disulfanyl}-1H-indol-3-yl)propanamide |
Formula | C22H22N4O2S2 |
Mass | 438.566 |
Exact Mass | 438.1184173 |
Composition | C (60.25%), H (5.06%), N (12.77%), O (7.3%), S (14.62%) |
Atom Count | 52 |
PI | 6.01 |
Smiles | c1cccc2c1c(c([nH]2)SSc1c(c2c([nH]1)cccc2)CCC(=O)N)CCC(=O)N |
InChI | 1S/C22H22N4O2S2/c23-19(27)11-9-15-13-5-1-3-7-17(13)25-21(15)29-30-22-16(10-12-20(24)28)14-6-2-4-8-18
(14)26-22/h1-8,25-26H,9-12H2,(H2,23,27)(H2,24,28) |
InChIKey | HMHMZJJRNBZGQN-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 | 7510340 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | SRC | |
Pub Chem Link |
5328573
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Drug Bank Link | - |
ChemSpider Link | 4485737 |
ChEMBL Link | CHEMBL157021 |