General Property |
Molceule ID (DB) | EGIN0003286 |
Inhibitor Class | Indolone |
Molecule Name in Refrence Article | 12i compound |
IUPAC Name | 5-{[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-2,4-dimethyl-N-(pyridin-4-ylmethyl)-1H-pyrrole-3-carboxamide |
Formula | C22H19FN4O2 |
Mass | 390.4103 |
Exact Mass | 390.1492041 |
Composition | C (67.68%), H (4.91%), F (4.87%), N (14.35%), O (8.2%) |
Atom Count | 48 |
PI | 8.24 |
Smiles | c1(c([nH]c(c1C)/C=C/1C(=O)Nc2c1cc(cc2)F)C)C(=O)NCc1ccncc1 |
InChI | 1S/C22H19FN4O2/c1-12-19(10-17-16-9-15(23)3-4-18(16)27-21(17)28)26-13(2)20(12)22(29)25-11-14-5-7-24-8
-6-14/h3-10,26H,11H2,1-2H3,(H,25,29)(H,27,28)/b17-10- |
InChIKey | DIKCCHQBRVVDJR-YVLHZVERSA-N |
2D Structure | ![](./image/EGIN0003286.png) | Structure Backbone | ![](./frame/f_EGIN0003286.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 | VEGFR2 | PDGFR beta | FGFR1 | ALL |
Pub Chem Link |
5329109
|
Drug Bank Link | - |
ChemSpider Link | 4486271 |
ChEMBL Link | CHEMBL268731 |