General Property |
Molceule ID (DB) | EGIN0003730 |
Inhibitor Class | Indolinone |
Molecule Name in Refrence Article | 48 compound |
IUPAC Name | ethyl 2,4-dimethyl-5-{[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-1H-pyrrole-3-carboxylate |
Formula | C18H18N2O3 |
Mass | 310.3471 |
Exact Mass | 310.1317425 |
Composition | C (69.66%), H (5.85%), N (9.03%), O (15.47%) |
Atom Count | 41 |
PI | 4.6 |
Smiles | c1ccc2c(c1)/C(=C/c1[nH]c(c(c1C)C(=O)OCC)C)/C(=O)N2 |
InChI | 1S/C18H18N2O3/c1-4-23-18(22)16-10(2)15(19-11(16)3)9-13-12-7-5-6-8-14(12)20-17(13)21/h5-9,19H,4H2,1-3
H3,(H,20,21)/b13-9- |
InChIKey | PMUJUSJUVIXDQC-LCYFTJDESA-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 | IGF1R | PDGFR | FLK-1 | ALL |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 4925465 |
ChEMBL Link | CHEMBL86943 |