General Property |
Molceule ID (DB) | EGIN0002860 |
Inhibitor Class | Dithiobis-indole |
Molecule Name in Refrence Article | 9a compound |
IUPAC Name | (3S)-1-methyl-N-phenyl-2-sulfanylidene-2,3-dihydro-1H-indole-3-carboxamide |
Formula | C16H14N2OS |
Mass | 282.36 |
Exact Mass | 282.0826838 |
Composition | C (68.06%), H (5%), N (9.92%), O (5.67%), S (11.36%) |
Atom Count | 34 |
PI | 1.47 |
Smiles | C1(=S)[C@H](C(=O)Nc2ccccc2)c2c(N1C)cccc2 |
InChI | 1S/C16H14N2OS/c1-18-13-10-6-5-9-12(13)14(16(18)20)15(19)17-11-7-3-2-4-8-11/h2-10,14H,1H3,(H,17,19)/t
14-/m0/s1 |
InChIKey | PMQPQXPWWRMDGF-AWEZNQCLSA-N |
2D Structure | ![](./image/EGIN0002860.png) | Structure Backbone | ![](./frame/f_EGIN0002860.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 | ALL |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 4485782 |
ChEMBL Link | CHEMBL62176 |