General Property |
Molceule ID (DB) | EGIN0003719 |
Inhibitor Class | Indolinone |
Molecule Name in Refrence Article | 37 compound |
IUPAC Name | (3E)-3-{1-[4-(piperidin-1-yl)phenyl]ethylidene}-2,3-dihydro-1H-indol-2-one |
Formula | C21H22N2O |
Mass | 318.4122 |
Exact Mass | 318.1732133 |
Composition | C (79.21%), H (6.96%), N (8.8%), O (5.02%) |
Atom Count | 46 |
PI | 8.19 |
Smiles | C1(=O)/C(=C(/c2ccc(N3CCCCC3)cc2)C)/c2c(N1)cccc2 |
InChI | 1S/C21H22N2O/c1-15(20-18-7-3-4-8-19(18)22-21(20)24)16-9-11-17(12-10-16)23-13-5-2-6-14-23/h3-4,7-12H,
2,5-6,13-14H2,1H3,(H,22,24)/b20-15+ |
InChIKey | DNHCCOIAADOQFR-HMMYKYKNSA-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 | FLK-1 | IGF1R | PDGFR | ALL |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 8838721 |
ChEMBL Link | CHEMBL314798 |