General Property |
Molceule ID (DB) | EGIN0003738 |
Inhibitor Class | Indolinone |
Molecule Name in Refrence Article | 56 compound |
IUPAC Name | (3Z)-3-{[5-(methylsulfanyl)thiophen-2-yl]methylidene}-2,3-dihydro-1H-indol-2-one |
Formula | C14H11NOS2 |
Mass | 273.373 |
Exact Mass | 273.0282054 |
Composition | C (61.51%), H (4.06%), N (5.12%), O (5.85%), S (23.46%) |
Atom Count | 29 |
PI | 4.61 |
Smiles | C1(=C/c2sc(cc2)SC)/C(=O)Nc2c1cccc2 |
InChI | 1S/C14H11NOS2/c1-17-13-7-6-9(18-13)8-11-10-4-2-3-5-12(10)15-14(11)16/h2-8H,1H3,(H,15,16)/b11-8- |
InChIKey | FEISFUIEFYIRAS-FLIBITNWSA-N |
2D Structure | | Structure Backbone | |
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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 | 9651163 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | IGF1R | PDGFR | FLK-1 | ALL |
Pub Chem Link |
10636005
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Drug Bank Link | - |
ChemSpider Link | 8811367 |
ChEMBL Link | CHEMBL89721 |