COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL298320
Chemical Name: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C/c2ccc3c(c2)OCO3)/C(=O)N1c1c(C)n(n(c1=O)c1ccccc1)C

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Molecular Weight: 451.53
Empirical Formula: C22H17N3O4S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.194
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 119
Number of rings: 5

     

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