COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK813275
Chemical Name: (5E)-3-(2-chlorobenzyl)-5-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-5-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCOc1ccc(cc1[N+](=O)[O-])c1nn(c(c1)/C=C\1/SC(=S)N(C1=O)Cc1ccccc1Cl)c1ccccc1

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Molecular Weight: 577.08
Empirical Formula: C28H21ClN4O4S2

Physical State: Dry powder
Available Amount: 78 mg

Lipinsky:
logP: 6.092
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 150
Number of rings: 5

     

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