COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK508217
Chemical Name: 3-(3,4-dimethoxyphenyl)-5-[(4-methoxy-3-nitrobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole
Smiles: COc1ccc(cc1OC)c1nnc(n1c1ccccc1)SCc1ccc(c(c1)[N+](=O)[O-])OC

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Molecular Weight: 478.53
Empirical Formula: C24H22N4O5S

Physical State: Dry powder
Available Amount: 452 mg

Lipinsky:
logP: 6.58
Rotatable bonds: 7
H-donors: 0
H-acceptors: 5
PSA: 129
Number of rings: 4

     

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