COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL391833
Chemical Name: 1-{[1-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]sulfonyl}-4-(3,4,5-trimethoxybenzyl)piperazine
Smiles: COc1cc(CN2CCN(CC2)S(=O)(=O)c2cnn(c2C)C(F)F)cc(c1OC)OC

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Molecular Weight: 460.5
Empirical Formula: C19H26F2N4O5S

Physical State: Dry powder
Available Amount: 43 mg

Lipinsky:
logP: 1.82
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 94
Number of rings: 3

     

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