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Abstract

Molecular Properties and Bio-Activity Score of 2{[2-(4-chlorophenyl)-4-oxoquinazolin-3(4H)-yl]amino}-N-(substitutedphenyl) acetamides

Molecular properties and bio-activity score of 2{[2-(4-chlorophenyl)-4-oxoquinazolin-3(4H)-yl]amino}-N-(substitutedphenyl) acetamides were calculated using molinspiration software. Mi Log P values of these compounds were found to be in the range of 5 that means these compounds have good permeability across cell membrane. TPSA in the range of 76.02 to 121.85 (well below 160) and molecular mass <500. Number of violations is 0 and rotb < 7. Number of hydrogen bond donors < 5 (The sum of OHs and NHs) and hydrogen bond acceptor <7 (The sum of Os and Ns). These observation showed that the compounds can easily bind to receptor and were taken further for the calculation of bioactivity score. However, the result of bioactivity score of GPCR ligand, ion channel modulator, nuclear receptor ligand, inhibitor activities towards kinase, protease and enzymes indicated that the compounds exhibit moderate score towards all the receptors.


Author(s):

Rajasekaran S*, Pradeepa Prasad and Gopal Krishna Rao



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