COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK703275
Chemical Name: (5Z)-3-(2-ethylhexyl)-5-({1-phenyl-3-[4-(prop-2-en-1-yloxy)phenyl]-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCCCC(CN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCC=C)c2ccccc2)/C1=O)CC

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Molecular Weight: 531.74
Empirical Formula: C30H33N3O2S2

Physical State: Dry powder
Available Amount: 401 mg

Lipinsky:
logP: 8.079
Rotatable bonds: 9
H-donors: 0
H-acceptors: 2
PSA: 104
Number of rings: 4

     

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