General Property |
Molceule ID (DB) | EGIN0003699 |
Inhibitor Class | Indolinone |
Molecule Name in Refrence Article | 17 compound |
IUPAC Name | 4-(4-{[(3Z)-4-methyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}phenyl)piperazine-1-carbaldehyde |
Formula | C21H21N3O2 |
Mass | 347.4103 |
Exact Mass | 347.1633769 |
Composition | C (72.6%), H (6.09%), N (12.1%), O (9.21%) |
Atom Count | 47 |
PI | 7.18 |
Smiles | c1ccc2c(c1C)/C(=C/c1ccc(cc1)N1CCN(CC1)C=O)/C(=O)N2 |
InChI | 1S/C21H21N3O2/c1-15-3-2-4-19-20(15)18(21(26)22-19)13-16-5-7-17(8-6-16)24-11-9-23(14-25)10-12-24/h2-8
,13-14H,9-12H2,1H3,(H,22,26)/b18-13- |
InChIKey | GOJTWENDGDLCOU-AQTBWJFISA-N |
2D Structure | ![](./image/EGIN0003699.png) | Structure Backbone | ![](./frame/f_EGIN0003699.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 | PDGFR | FLK-1 | IGF1R | ALL |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 8769139 |
ChEMBL Link | CHEMBL89040 |