COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL173913
Chemical Name: 4-(2,4-dimethoxyphenyl)-5-{3-[(4-nitrophenoxy)methyl]phenyl}-4H-1,2,4-triazole-3-thiol
Smiles: COc1ccc(c(c1)OC)n1c(S)nnc1c1cccc(c1)COc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 464.5
Empirical Formula: C23H20N4O5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.109
Rotatable bonds: 6
H-donors: 0
H-acceptors: 5
PSA: 143
Number of rings: 4

     

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