COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK813200
Chemical Name: (5Z)-3-heptyl-5-({3-[2-methyl-3-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2cccc(c2C)OCC(C)C)c2ccccc2)/C1=O

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Molecular Weight: 547.79
Empirical Formula: C31H37N3O2S2

Physical State: Dry powder
Available Amount: 102 mg

Lipinsky:
logP: 8.747
Rotatable bonds: 11
H-donors: 0
H-acceptors: 2
PSA: 104
Number of rings: 4

     

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