COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK307274
Chemical Name: 5-[1-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-(2-ethylphenyl)-4H-1,2,4-triazole-3-thiol
Smiles: CCc1ccccc1n1c(S)nnc1C(n1nc(c(c1C)[N+](=O)[O-])C)C

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Molecular Weight: 372.45
Empirical Formula: C17H20N6O2S

Physical State: Dry powder
Available Amount: 48 mg

Lipinsky:
logP: 5.364
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 133
Number of rings: 3

     

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