General Property |
Molceule ID (DB) | EGIN0002662 |
Inhibitor Class | Dithiobis-indole |
Molecule Name in Refrence Article | 10r compound |
IUPAC Name | (2R)-2-amino-3-[2-({3-[(2S)-2-amino-2-(benzylcarbamoyl)ethyl]-1H-indol-2-yl}sulfanyl)-1H-indol-3-yl]-N-benzylpropanamide |
Formula | C36H36N6O2S |
Mass | 616.775 |
Exact Mass | 616.2620451 |
Composition | C (70.1%), H (5.88%), N (13.63%), O (5.19%), S (5.2%) |
Atom Count | 81 |
PI | 10.7 |
Smiles | c1cccc2c1c(c([nH]2)Sc1[nH]c2c(c1C[C@@H](C(=O)NCc1ccccc1)N)cccc2)C[C@@H](N)C(=O)NCc1ccccc1 |
InChI | 1S/C36H36N6O2S/c37-29(33(43)39-21-23-11-3-1-4-12-23)19-27-25-15-7-9-17-31(25)41-35(27)45-36-28(26-16
-8-10-18-32(26)42-36)20-30(38)34(44)40-22-24-13-5-2-6-14-24/h1-18,29-30,41-42H,19-22,37-38H2,(H,39,4
3)(H,40,44)/t29-,30+ |
InChIKey | DKVMBMSACRGZSO-RNPORBBMSA-N |
2D Structure | ![](./image/EGIN0002662.png) | Structure Backbone | ![](./frame/f_EGIN0002662.png) |
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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 |
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | CHEMBL336174 |