COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK302405
Chemical Name: 4-(3-chloro-4-fluorophenyl)-5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
Smiles: [O-][N+](=O)c1c(C)nn(c1C)CCc1nnc(n1c1ccc(c(c1)Cl)F)S

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Molecular Weight: 396.83
Empirical Formula: C15H14ClFN6O2S

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 4.949
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 133
Number of rings: 3

     

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