COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK815538
Chemical Name: (5Z)-5-{[3-(3-chloro-4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(2-ethylhexyl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCCCC(CN1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)Cl)OCC)c2ccccc2)/C1=O)CC

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Molecular Weight: 554.18
Empirical Formula: C29H32ClN3O2S2

Physical State: Dry powder
Available Amount: 104 mg

Lipinsky:
logP: 8.321
Rotatable bonds: 10
H-donors: 0
H-acceptors: 2
PSA: 104
Number of rings: 4

     

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