General Property |
Molceule ID (DB) | EGIN0003698 |
Inhibitor Class | Indolinone |
Molecule Name in Refrence Article | 16 compound |
IUPAC Name | 4-(4-{[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}phenyl)piperazine-1-carbaldehyde |
Formula | C20H19N3O2 |
Mass | 333.3838 |
Exact Mass | 333.1477269 |
Composition | C (72.05%), H (5.74%), N (12.6%), O (9.6%) |
Atom Count | 44 |
PI | 7.17 |
Smiles | c1ccc2c(c1)/C(=C/c1ccc(cc1)N1CCN(CC1)C=O)/C(=O)N2 |
InChI | 1S/C20H19N3O2/c24-14-22-9-11-23(12-10-22)16-7-5-15(6-8-16)13-18-17-3-1-2-4-19(17)21-20(18)25/h1-8,13
-14H,9-12H2,(H,21,25)/b18-13- |
InChIKey | ZNFJBJDODKHWED-AQTBWJFISA-N |
2D Structure | | Structure Backbone | |
|
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 | FLK-1 | PDGFR | ALL |
Pub Chem Link |
-
|
Drug Bank Link | - |
ChemSpider Link | 4757975 |
ChEMBL Link | CHEMBL315546 |