SI.NO: | Ligand name | CAS number | Molecular formula | MW | Log P | H-bond donors | H-bond acceptors | Chemical structure |
---|---|---|---|---|---|---|---|---|
1 | Crizotinib (3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine) | 877399-52-5 | C21H22Cl2FN5O | 450.3 g/mol | 1.83 | 2 | 6 |
|
2 | Temozolomide (3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide) | 85622-93-1 | C6H6N6O2 | 194.15 g/mol | − 2.8 | 1 | 5 |