General Property |
Molceule ID (DB) | EGIN0002862 |
Inhibitor Class | Dithiobis-indole |
Molecule Name in Refrence Article | 11 compound |
IUPAC Name | (3R)-1,3-dimethyl-N-phenyl-2-sulfanylidene-2,3-dihydro-1H-indole-3-carboxamide |
Formula | C17H16N2OS |
Mass | 296.387 |
Exact Mass | 296.0983338 |
Composition | C (68.89%), H (5.44%), N (9.45%), O (5.4%), S (10.82%) |
Atom Count | 37 |
PI | 5.2 |
Smiles | CN1c2ccccc2[C@](C)(C(=O)Nc2ccccc2)C1=S |
InChI | 1S/C17H16N2OS/c1-17(15(20)18-12-8-4-3-5-9-12)13-10-6-7-11-14(13)19(2)16(17)21/h3-11H,1-2H3,(H,18,20)
/t17-/m1/s1 |
InChIKey | RIAZXZRDAZBVMK-QGZVFWFLSA-N |
2D Structure | ![](./image/EGIN0002862.png) | Structure Backbone | ![](./frame/f_EGIN0002862.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 | 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 | 4485785 |
ChEMBL Link | CHEMBL63009 |