COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK309521
Chemical Name: 5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole-3-thiol
Smiles: CCn1ncc(c1C)n1c(CCn2nc(c(c2C)[N+](=O)[O-])C)nnc1S

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Molecular Weight: 376.44
Empirical Formula: C15H20N8O2S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.133
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 150
Number of rings: 3

     

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