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Table 1 List of ligands with CAS number which used for the study

From: Docking and dynamic simulation study of Crizotinib and Temozolomide drug with Glioblastoma and NSCLC target to identify better efficacy of the drug

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

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