COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK089188
Chemical Name: (4Z)-4-[2-(3-acetylphenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Smiles: NC(=S)N1N=C(/C(=N/Nc2cccc(c2)C(=O)C)/C1=O)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 410.41
Empirical Formula: C18H14N6O4S

Physical State: Dry powder
Available Amount: 151 mg

Lipinsky:
logP: 1.061
Rotatable bonds: 1
H-donors: 3
H-acceptors: 4
PSA: 178
Number of rings: 3

     

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