General Property |
Molceule ID (DB) | EGIN0001014 |
Inhibitor Class | Indolinone |
Molecule Name in Refrence Article | 1a compound |
IUPAC Name | ethyl 3-(2-ethoxy-2-oxoethyl)-5-methyl-4-{[(3E)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-1H-pyrrole-2-carboxylate |
Formula | C21H22N2O5 |
Mass | 382.4098 |
Exact Mass | 382.1528718 |
Composition | C (65.96%), H (5.8%), N (7.33%), O (20.92%) |
Atom Count | 50 |
PI | 4.58 |
Smiles | c12c(cccc1)NC(=O)/C/2=Cc1c(c([nH]c1C)C(=O)OCC)CC(=O)OCC |
InChI | 1S/C21H22N2O5/c1-4-27-18(24)11-15-14(12(3)22-19(15)21(26)28-5-2)10-16-13-8-6-7-9-17(13)23-20(16)25/h
6-10,22H,4-5,11H2,1-3H3,(H,23,25)/b16-10+ |
InChIKey | MVXYPAJCYZXPRB-MHWRWJLKSA-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 | 17184594 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | FGFR | PDGFR | VEGFR | ALL |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |