General Property |
Molceule ID (DB) | EGIN0003287 |
Inhibitor Class | Indolone |
Molecule Name in Refrence Article | 12j compound |
IUPAC Name | 5-{[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-2,4-dimethyl-N-[2-(1H-1,2,4-triazol-1-yl)ethyl]-1H-pyrrole-3-carboxamide |
Formula | C20H19FN6O2 |
Mass | 394.4023 |
Exact Mass | 394.1553521 |
Composition | C (60.91%), H (4.86%), F (4.82%), N (21.31%), O (8.11%) |
Atom Count | 48 |
PI | 6.88 |
Smiles | c1(c([nH]c(c1C)/C=C/1C(=O)Nc2c1cc(cc2)F)C)C(=O)NCCn1ncnc1 |
InChI | 1S/C20H19FN6O2/c1-11-17(8-15-14-7-13(21)3-4-16(14)26-19(15)28)25-12(2)18(11)20(29)23-5-6-27-10-22-9-
24-27/h3-4,7-10,25H,5-6H2,1-2H3,(H,23,29)(H,26,28)/b15-8- |
InChIKey | FZMROVZIFREMDI-NVNXTCNLSA-N |
2D Structure | ![](./image/EGIN0003287.png) | Structure Backbone | ![](./frame/f_EGIN0003287.png) |
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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 | 12646019 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | PDGFR beta | FGFR1 | VEGFR2 | ALL |
Pub Chem Link |
44269004
|
Drug Bank Link | - |
ChemSpider Link | 23113090 |
ChEMBL Link | CHEMBL267293 |