General Property |
Molceule ID (DB) | EGIN0003813 |
Inhibitor Class | Indolinone |
Molecule Name in Refrence Article | 16f compound |
IUPAC Name | 3-(2,4-dimethyl-5-{[(3Z)-2-oxo-6-phenyl-2,3-dihydro-1H-indol-3-ylidene]methyl}-1H-pyrrol-3-yl)propanoic acid |
Formula | C24H22N2O3 |
Mass | 386.4431 |
Exact Mass | 386.1630426 |
Composition | C (74.59%), H (5.74%), N (7.25%), O (12.42%) |
Atom Count | 51 |
PI | 1.04 |
Smiles | c1(/C=C/2C(=O)Nc3c2ccc(c3)c2ccccc2)[nH]c(c(c1C)CCC(=O)O)C |
InChI | 1S/C24H22N2O3/c1-14-18(10-11-23(27)28)15(2)25-21(14)13-20-19-9-8-17(12-22(19)26-24(20)29)16-6-4-3-5-
7-16/h3-9,12-13,25H,10-11H2,1-2H3,(H,26,29)(H,27,28)/b20-13- |
InChIKey | APYYTEJNOZQZNA-MOSHPQCFSA-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 | PDGFR beta | VEGFR2 | FGFR1 | ALL |
Pub Chem Link |
5329150
|
Drug Bank Link | - |
ChemSpider Link | 4486312 26470833 21202094 |
ChEMBL Link | CHEMBL149201 |