COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK311853
Chemical Name: 4-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-5-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
Smiles: Cc1ccc(cc1)Cn1nc(c(c1C)n1c(S)nnc1CCn1nc(cc1C)[N+](=O)[O-])C

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Molecular Weight: 452.54
Empirical Formula: C21H24N8O2S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.302
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 150
Number of rings: 4

     

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