COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL051473
Chemical Name: 2-{[4-(4-chlorophenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-nitrophenyl)ethanone
Smiles: Clc1ccc(cc1)n1c(SCC(=O)c2cccc(c2)[N+](=O)[O-])nnc1c1ccccn1

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Molecular Weight: 451.89
Empirical Formula: C21H14ClN5O3S

Physical State: Dry powder
Available Amount: 113 mg

Lipinsky:
logP: 5.872
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 131
Number of rings: 4

     

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