COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL402101
Chemical Name: 1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2,3,4-trimethoxybenzyl)piperazine
Smiles: COc1ccc(c(c1OC)OC)CN1CCN(CC1)S(=O)(=O)c1c(C)nn(c1C)CC

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Molecular Weight: 452.58
Empirical Formula: C21H32N4O5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.306
Rotatable bonds: 6
H-donors: 0
H-acceptors: 5
PSA: 94
Number of rings: 3

     

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