COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK000114
Chemical Name: (4E)-4-{2-[2-(morpholin-4-ylcarbonyl)phenyl]hydrazinylidene}-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Smiles: NC(=S)N1N=C(/C(=N\Nc2ccccc2C(=O)N2CCOCC2)/C1=O)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 481.49
Empirical Formula: C21H19N7O5S

Physical State: Dry powder
Available Amount: 46 mg

Lipinsky:
logP: 0.058
Rotatable bonds: 1
H-donors: 3
H-acceptors: 5
PSA: 190
Number of rings: 4

     

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