| General Property |
| Molceule ID (DB) | EGIN0002755 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 7h compound |
| IUPAC Name | 4-[({2-[(3-{[(4-carboxyphenyl)methyl]carbamoyl}-1-methyl-1H-indol-2-yl)disulfanyl]-1-methyl-1H-indol-3-yl}formamido)methyl]benzoic acid |
| Formula | C36H30N4O6S2 |
| Mass | 678.777 |
| Exact Mass | 678.1606761 |
| Composition | C (63.7%), H (4.45%), N (8.25%), O (14.14%), S (9.45%) |
| Atom Count | 78 |
| PI | 1.14 |
| Smiles | c1(c(c2c(n1C)cccc2)C(=O)NCc1ccc(C(=O)O)cc1)SSc1c(c2c(n1C)cccc2)C(=O)NCc1ccc(C(=O)O)cc1 |
| InChI | 1S/C36H30N4O6S2/c1-39-27-9-5-3-7-25(27)29(31(41)37-19-21-11-15-23(16-12-21)35(43)44)33(39)47-48-34-3
0(26-8-4-6-10-28(26)40(34)2)32(42)38-20-22-13-17-24(18-14-22)36(45)46/h3-18H,19-20H2,1-2H3,(H,37,41)
(H,38,42)(H,43,44)(H,45,46) |
| InChIKey | DNHRXRSIPPWDII-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 | 7837241 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | SRC | |
| Pub Chem Link |
10327195
|
| Drug Bank Link | - |
| ChemSpider Link | 8502656 |
| ChEMBL Link | CHEMBL158805 |
