COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK014861
Chemical Name: (4E)-4-[2-(4-chloro-3-nitrophenyl)hydrazinylidene]-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: CC1=NN(C(=O)/C/1=N/Nc1ccc(c(c1)[N+](=O)[O-])Cl)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 402.75
Empirical Formula: C16H11ClN6O5

Physical State: Dry powder
Available Amount: 140 mg

Lipinsky:
logP: 2.728
Rotatable bonds: 0
H-donors: 1
H-acceptors: 5
PSA: 148
Number of rings: 3

     

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