General Property |
Molceule ID (DB) | EGIN0003736 |
Inhibitor Class | Indolinone |
Molecule Name in Refrence Article | 54 compound |
IUPAC Name | (3Z)-3-[(3-bromothiophen-2-yl)methylidene]-2,3-dihydro-1H-indol-2-one |
Formula | C13H8BrNOS |
Mass | 306.178 |
Exact Mass | 304.9509972 |
Composition | C (51%), H (2.63%), Br (26.1%), N (4.57%), O (5.23%), S (10.47%) |
Atom Count | 25 |
PI | 4.61 |
Smiles | C1(=C/c2c(ccs2)Br)/C(=O)Nc2c1cccc2 |
InChI | 1S/C13H8BrNOS/c14-10-5-6-17-12(10)7-9-8-3-1-2-4-11(8)15-13(9)16/h1-7H,(H,15,16)/b9-7- |
InChIKey | ZGCKMTQNGWQKEN-CLFYSBASSA-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 |
5707304
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Drug Bank Link | - |
ChemSpider Link | 4646465 |
ChEMBL Link | CHEMBL87783 |