General Property |
Molceule ID (DB) | EGIN0004169 |
Inhibitor Class | Pyridine |
Molecule Name in Refrence Article | 10 compound |
IUPAC Name | N-{4-[(2-amino-3-chloropyridin-4-yl)oxy]-3-fluorophenyl}-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide |
Formula | C25H19ClF2N4O4 |
Mass | 512.893 |
Exact Mass | 512.1062892 |
Composition | C (58.54%), H (3.73%), Cl (6.91%), F (7.41%), N (10.92%), O (12.48%) |
Atom Count | 55 |
PI | 9.4 |
Smiles | c1cc(ccc1n1ccc(c(c1=O)C(=O)Nc1ccc(c(c1)F)Oc1ccnc(c1Cl)N)OCC)F |
InChI | 1S/C25H19ClF2N4O4/c1-2-35-19-10-12-32(16-6-3-14(27)4-7-16)25(34)21(19)24(33)31-15-5-8-18(17(28)13-15
)36-20-9-11-30-23(29)22(20)26/h3-13H,2H2,1H3,(H2,29,30)(H,31,33) |
InChIKey | VNBRGSXVFBYQNN-UHFFFAOYSA-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 | 19260711 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | AurB | Axl | BTK | CDK2E | EGFR | FLT3 | GSK-3 beta | IGFR1R | IKK1/2 | InsR | Jak2 | Lck | Mer | Met | MK2 | P38a | PIM1 | PKA | PlK1/3 | Ron | TrkA | TrkB | Tyro3 | VEGFR2 | ALL |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 21437043 |
ChEMBL Link | CHEMBL460702 |