COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK817087
Chemical Name: (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-{[1-phenyl-3-(2,4,6-trimethylphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Smiles: Cc1cc(C)c(c(c1)C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)Cc1ccc2c(c1)OCO2)c1ccccc1

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Molecular Weight: 539.68
Empirical Formula: C30H25N3O3S2

Physical State: Dry powder
Available Amount: 402 mg

Lipinsky:
logP: 6.996
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 113
Number of rings: 6

     

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