COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK813094
Chemical Name: (5Z)-5-{[3-(4-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(2-ethylhexyl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCCCOc1ccc(cc1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CC(CCCC)CC)c1ccccc1

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Molecular Weight: 547.79
Empirical Formula: C31H37N3O2S2

Physical State: Dry powder
Available Amount: 401 mg

Lipinsky:
logP: 8.868
Rotatable bonds: 10
H-donors: 0
H-acceptors: 2
PSA: 104
Number of rings: 4

     

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