General Property |
Molceule ID (DB) | EGIN0003700 |
Inhibitor Class | Indolinone |
Molecule Name in Refrence Article | 18 compound |
IUPAC Name | 4-(4-{[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}phenyl)piperazine-1-carbaldehyde |
Formula | C20H18BrN3O2 |
Mass | 412.28 |
Exact Mass | 411.0582395 |
Composition | C (58.26%), H (4.4%), Br (19.38%), N (10.19%), O (7.76%) |
Atom Count | 44 |
PI | 7.15 |
Smiles | C1(=C/c2ccc(N3CCN(C=O)CC3)cc2)/C(=O)Nc2c1cc(cc2)Br |
InChI | 1S/C20H18BrN3O2/c21-15-3-6-19-17(12-15)18(20(26)22-19)11-14-1-4-16(5-2-14)24-9-7-23(13-25)8-10-24/h1
-6,11-13H,7-10H2,(H,22,26)/b18-11- |
InChIKey | BWIHZZBWTTUUMW-WQRHYEAKSA-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 | 23176980 |
ChEMBL Link | CHEMBL88405 |