| General Property |
| Molceule ID (DB) | EGIN0002668 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 11j compound |
| IUPAC Name | N-benzyl-3-[(3R)-2-sulfanylidene-2,3-dihydro-1H-indol-3-yl]propanamide |
| Formula | C18H18N2OS |
| Mass | 310.413 |
| Exact Mass | 310.1139839 |
| Composition | C (69.65%), H (5.84%), N (9.02%), O (5.15%), S (10.33%) |
| Atom Count | 40 |
| PI | 3.77 |
| Smiles | c1cccc2c1[C@H](C(=S)N2)CCC(=O)NCc1ccccc1 |
| InChI | 1S/C18H18N2OS/c21-17(19-12-13-6-2-1-3-7-13)11-10-15-14-8-4-5-9-16(14)20-18(15)22/h1-9,15H,10-12H2,(H
,19,21)(H,20,22)/t15-/m1/s1 |
| InChIKey | FRECTLXXXNGYET-OAHLLOKOSA-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 | 7510340 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | SRC | |
| Pub Chem Link |
10696457
|
| Drug Bank Link | - |
| ChemSpider Link | 4485755 |
| ChEMBL Link | CHEMBL154911 |
