COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL391930
Chemical Name: 3-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-ethyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
Smiles: CCn1c(nnc1CCn1nc(c(c1C)Br)C)SCc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 465.37
Empirical Formula: C18H21BrN6O2S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.015
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 119
Number of rings: 3

     

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