COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK536086
Chemical Name: (4Z)-2-(3-chloro-4-methylphenyl)-5-methyl-4-[3-nitro-4-(piperidin-1-yl)benzylidene]-2,4-dihydro-3H-pyrazol-3-one
Smiles: CC1=NN(C(=O)/C/1=C\c1ccc(c(c1)[N+](=O)[O-])N1CCCCC1)c1ccc(c(c1)Cl)C

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Molecular Weight: 438.91
Empirical Formula: C23H23ClN4O3

Physical State: Dry powder
Available Amount: 250 mg

Lipinsky:
logP: 6.628
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 81
Number of rings: 4

     

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