COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK823006
Chemical Name: (5Z)-5-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-hexyl-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)[N+](=O)[O-])OCC)c2ccccc2)/C1=O

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Molecular Weight: 536.68
Empirical Formula: C27H28N4O4S2

Physical State: Dry powder
Available Amount: 101 mg

Lipinsky:
logP: 6.323
Rotatable bonds: 9
H-donors: 0
H-acceptors: 4
PSA: 150
Number of rings: 4

     

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