COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK179022
Chemical Name: N,N'-bis(3,4-dimethoxybenzyl)-1-(methylsulfonyl)-1H-1,2,4-triazole-3,5-diamine
Smiles: COc1cc(CNc2nc(n(n2)S(=O)(=O)C)NCc2ccc(c(c2)OC)OC)ccc1OC

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Molecular Weight: 477.54
Empirical Formula: C21H27N5O6S

Physical State: Dry powder
Available Amount: 281 mg

Lipinsky:
logP: 1.706
Rotatable bonds: 8
H-donors: 2
H-acceptors: 6
PSA: 134
Number of rings: 3

     

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