COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK434034
Chemical Name: 2-({4-ethyl-5-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide
Smiles: CCn1c(SCC(=O)Nc2cccc(c2)[N+](=O)[O-])nnc1CCn1nc(cc1C)[N+](=O)[O-]

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Molecular Weight: 460.47
Empirical Formula: C18H20N8O5S

Physical State: Dry powder
Available Amount: 815 mg

Lipinsky:
logP: 3.219
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 194
Number of rings: 3

     

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