General Property |
Molceule ID (DB) | EGIN0002962 |
Inhibitor Class | Thioxo-indole |
Molecule Name in Refrence Article | 6 compound |
IUPAC Name | 2-[(3R)-1-methyl-2-sulfanylidene-2,3-dihydro-1H-indol-3-yl]acetic acid |
Formula | C11H11NO2S |
Mass | 221.276 |
Exact Mass | 221.0510493 |
Composition | C (59.71%), H (5.01%), N (6.33%), O (14.46%), S (14.49%) |
Atom Count | 26 |
PI | 0.74 |
Smiles | C1(=S)N(c2c([C@H]1CC(=O)O)cccc2)C |
InChI | 1S/C11H11NO2S/c1-12-9-5-3-2-4-7(9)8(11(12)15)6-10(13)14/h2-5,8H,6H2,1H3,(H,13,14)/t8-/m1/s1 |
InChIKey | MGQMNRPORBTSDW-MRVPVSSYSA-N |
2D Structure | ![](./image/EGIN0002962.png) | Structure Backbone | ![](./frame/f_EGIN0002962.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 | 8355247 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | No activity data against other kinases present in database |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 4485700 |
ChEMBL Link | CHEMBL314416 |