General Property |
Molceule ID (DB) | EGIN0003812 |
Inhibitor Class | Indolinone |
Molecule Name in Refrence Article | 16e compound |
IUPAC Name | 3-(5-{[(3Z)-6-methoxy-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-2,4-dimethyl-1H-pyrrol-3-yl)propanoic acid |
Formula | C19H20N2O4 |
Mass | 340.3731 |
Exact Mass | 340.1423071 |
Composition | C (67.05%), H (5.92%), N (8.23%), O (18.8%) |
Atom Count | 45 |
PI | 1.04 |
Smiles | c1(/C=C/2C(=O)Nc3c2ccc(c3)OC)[nH]c(c(c1C)CCC(=O)O)C |
InChI | 1S/C19H20N2O4/c1-10-13(6-7-18(22)23)11(2)20-16(10)9-15-14-5-4-12(25-3)8-17(14)21-19(15)24/h4-5,8-9,2
0H,6-7H2,1-3H3,(H,21,24)(H,22,23)/b15-9- |
InChIKey | IYOHDJYJJGGYFL-DHDCSXOGSA-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 | 10602697 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | FGFR1 | PDGFR beta | VEGFR2 | ALL |
Pub Chem Link |
5329149
|
Drug Bank Link | - |
ChemSpider Link | 4486311 21202102 |
ChEMBL Link | CHEMBL356245 |