COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL169103
Chemical Name: (4Z)-1-(3-chloro-4-methylphenyl)-4-[4-(4-methylpiperidin-1-yl)-3-nitrobenzylidene]pyrazolidine-3,5-dione
Smiles: CC1CCN(CC1)c1ccc(cc1[N+](=O)[O-])/C=C\1/C(=O)NN(C1=O)c1ccc(c(c1)Cl)C

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Molecular Weight: 454.91
Empirical Formula: C23H23ClN4O4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.98
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 98
Number of rings: 4

     

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