General Property |
Molceule ID (DB) | EGIN0003784 |
Inhibitor Class | Pyrido-pyrimidine |
Molecule Name in Refrence Article | 71 compound |
IUPAC Name | 2-(4-{[6-(2,6-dichlorophenyl)-8-methyl-7-oxo-7H,8H-pyrido[2,3-d]pyrimidin-2-yl]amino}phenyl)acetic acid |
Formula | C22H16Cl2N4O3 |
Mass | 455.293 |
Exact Mass | 454.0599458 |
Composition | C (58.04%), H (3.54%), Cl (15.57%), N (12.31%), O (10.54%) |
Atom Count | 47 |
PI | 2.5 |
Smiles | n1(c2nc(ncc2cc(c1=O)c1c(Cl)cccc1Cl)Nc1ccc(CC(=O)O)cc1)C |
InChI | 1S/C22H16Cl2N4O3/c1-28-20-13(10-15(21(28)31)19-16(23)3-2-4-17(19)24)11-25-22(27-20)26-14-7-5-12(6-8-
14)9-18(29)30/h2-8,10-11H,9H2,1H3,(H,29,30)(H,25,26,27) |
InChIKey | AMKNQROTNAOJQE-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 | 9703473 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | c-Src | FGFr | PDGFr | ALL |
Pub Chem Link |
5327917
|
Drug Bank Link | - |
ChemSpider Link | 4485087 |
ChEMBL Link | CHEMBL50647 |