General Property |
Molceule ID (DB) | EGIN0001016 |
Inhibitor Class | Indolinone |
Molecule Name in Refrence Article | 1c compound |
IUPAC Name | methyl 3-(2-methoxy-2-oxoethyl)-5-methyl-4-{[(3E)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-1H-pyrrole-2-carboxylate |
Formula | C19H18N2O5 |
Mass | 354.3566 |
Exact Mass | 354.1215717 |
Composition | C (64.4%), H (5.12%), N (7.91%), O (22.58%) |
Atom Count | 44 |
PI | 4.58 |
Smiles | c12c(cccc1)NC(=O)/C/2=C/c1c(c([nH]c1C)C(=O)OC)CC(=O)OC |
InChI | 1S/C19H18N2O5/c1-10-12(8-14-11-6-4-5-7-15(11)21-18(14)23)13(9-16(22)25-2)17(20-10)19(24)26-3/h4-8,20
H,9H2,1-3H3,(H,21,23)/b14-8+ |
InChIKey | XAIVXCSTXXTJNL-RIYZIHGNSA-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 | - |