COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK022990
Chemical Name: (4E)-4-[2-(4-chloro-3-nitrophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Smiles: NC(=S)N1N=C(/C(=N\Nc2ccc(c(c2)[N+](=O)[O-])Cl)/C1=O)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 447.82
Empirical Formula: C16H10ClN7O5S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 2.433
Rotatable bonds: 0
H-donors: 3
H-acceptors: 5
PSA: 206
Number of rings: 3

     

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