COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK706557
Chemical Name: (5Z)-5-{[3-(3-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-octyl-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)C)OCCC)c2ccccc2)/C1=O

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Molecular Weight: 547.79
Empirical Formula: C31H37N3O2S2

Physical State: Dry powder
Available Amount: 362 mg

Lipinsky:
logP: 8.981
Rotatable bonds: 12
H-donors: 0
H-acceptors: 2
PSA: 104
Number of rings: 4

     

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