General Property |
Molceule ID (DB) | EGIN0003715 |
Inhibitor Class | Indolinone |
Molecule Name in Refrence Article | 33 compound |
IUPAC Name | (3Z)-3-{[4-hydroxy-3,5-bis(propan-2-yl)phenyl]methylidene}-2,3-dihydro-1H-indol-2-one |
Formula | C21H23NO2 |
Mass | 321.4128 |
Exact Mass | 321.172879 |
Composition | C (78.47%), H (7.21%), N (4.36%), O (9.96%) |
Atom Count | 47 |
PI | 4.1 |
Smiles | c1(c(c(cc(c1)/C=C/1C(=O)Nc2c1cccc2)C(C)C)O)C(C)C |
InChI | 1S/C21H23NO2/c1-12(2)16-9-14(10-17(13(3)4)20(16)23)11-18-15-7-5-6-8-19(15)22-21(18)24/h5-13,23H,1-4H
3,(H,22,24)/b18-11- |
InChIKey | UGWOQEABVJFWIV-WQRHYEAKSA-N |
2D Structure | ![](./image/EGIN0003715.png) | Structure Backbone | ![](./frame/f_EGIN0003715.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 | 9651163 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | IGF1R | PDGFR | FLK-1 | ALL |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 8862590 |
ChEMBL Link | CHEMBL85021 |