General Property |
Molceule ID (DB) | EGIN0003770 |
Inhibitor Class | Pyrido-pyrimidine |
Molecule Name in Refrence Article | 44 compound |
IUPAC Name | 2-[(4-chlorophenyl)amino]-6-(2,6-dichlorophenyl)-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one |
Formula | C20H13Cl3N4O |
Mass | 431.702 |
Exact Mass | 430.0154942 |
Composition | C (55.64%), H (3.04%), Cl (24.64%), N (12.98%), O (3.71%) |
Atom Count | 41 |
PI | 7.27 |
Smiles | n1(c2nc(ncc2cc(c1=O)c1c(Cl)cccc1Cl)Nc1ccc(Cl)cc1)C |
InChI | 1S/C20H13Cl3N4O/c1-27-18-11(9-14(19(27)28)17-15(22)3-2-4-16(17)23)10-24-20(26-18)25-13-7-5-12(21)6-8
-13/h2-10H,1H3,(H,24,25,26) |
InChIKey | NHNZOSYAEBEEDW-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
|
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 | PDGFr | FGFr | ALL |
Pub Chem Link |
5327891
|
Drug Bank Link | - |
ChemSpider Link | 4485061 |
ChEMBL Link | CHEMBL111247 |