COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK434862
Chemical Name: N-(4-chloro-3-nitrophenyl)-2-({4-ethyl-5-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: CCn1c(SCC(=O)Nc2ccc(c(c2)[N+](=O)[O-])Cl)nnc1CCn1nc(cc1C)[N+](=O)[O-]

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Molecular Weight: 494.92
Empirical Formula: C18H19ClN8O5S

Physical State: Dry powder
Available Amount: 640 mg

Lipinsky:
logP: 3.978
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 194
Number of rings: 3

     

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