| General Property |
| Molceule ID (DB) | EGIN0002848 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 10o compound |
| IUPAC Name | 1-methyl-2-({1-methyl-5-nitro-3-[(phenylamino)methyl]-1H-indol-2-yl}disulfanyl)-5-nitro-N-phenyl-1H-indole-3-carboxamide |
| Formula | C32H26N6O5S2 |
| Mass | 638.716 |
| Exact Mass | 638.1406094 |
| Composition | C (60.17%), H (4.1%), N (13.16%), O (12.52%), S (10.04%) |
| Atom Count | 71 |
| PI | 7.45 |
| Smiles | Cn1c(SSc2c(CNc3ccccc3)c3cc(ccc3n2C)N(=O)=O)c(C(=O)Nc2ccccc2)c2cc(ccc12)N(=O)=O |
| InChI | 1S/C32H26N6O5S2/c1-35-27-15-13-22(37(40)41)17-24(27)26(19-33-20-9-5-3-6-10-20)31(35)44-45-32-29(30(3
9)34-21-11-7-4-8-12-21)25-18-23(38(42)43)14-16-28(25)36(32)2/h3-18,33H,19H2,1-2H3,(H,34,39) |
| InChIKey | NJJCLVPPLLGJKJ-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 | 8027985 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | SRC | |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | CHEMBL64430 |
