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 | ![](./image/EGIN0002668.png) | Structure Backbone | ![](./frame/f_EGIN0002668.png) |
|
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 |