COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK048185
Chemical Name: (4Z)-5-methyl-4-[2-(2-nitrophenyl)hydrazinylidene]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2,4-dihydro-3H-pyrazol-3-one
Smiles: CC1=NN(C(=O)/C/1=N\Nc1ccccc1[N+](=O)[O-])c1scc(n1)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 451.42
Empirical Formula: C19H13N7O5S

Physical State: Dry powder
Available Amount: 162 mg

Lipinsky:
logP: 2.536
Rotatable bonds: 1
H-donors: 1
H-acceptors: 5
PSA: 189
Number of rings: 4

     

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