COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK096146
Chemical Name: (4E)-3-methyl-4-[2-(4-methyl-3-nitrophenyl)hydrazinylidene]-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Smiles: NC(=S)N1N=C(/C(=N\Nc2ccc(c(c2)[N+](=O)[O-])C)/C1=O)C

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Molecular Weight: 320.33
Empirical Formula: C12H12N6O3S

Physical State: Dry powder
Available Amount: 339 mg

Lipinsky:
logP: 0.629
Rotatable bonds: 0
H-donors: 3
H-acceptors: 3
PSA: 160
Number of rings: 2

     

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