COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK815056
Chemical Name: N-(2,5-dimethylphenyl)-2-{4-[(Z)-(3-octyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-3-phenyl-1H-pyrazol-1-yl}acetamide
Smiles: CCCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccccc2)CC(=O)Nc2cc(C)ccc2C)/C1=O

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Molecular Weight: 560.78
Empirical Formula: C31H36N4O2S2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 7.37
Rotatable bonds: 10
H-donors: 1
H-acceptors: 2
PSA: 124
Number of rings: 4

     

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