COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK701878
Chemical Name: (5Z)-3-(2-ethylhexyl)-5-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCCCC(CN1C(=S)S/C(=C\c2cn(nc2c2cccc(c2)[N+](=O)[O-])c2ccccc2)/C1=O)CC

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Molecular Weight: 520.68
Empirical Formula: C27H28N4O3S2

Physical State: Dry powder
Available Amount: 103 mg

Lipinsky:
logP: 6.989
Rotatable bonds: 8
H-donors: 0
H-acceptors: 3
PSA: 141
Number of rings: 4

     

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