COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL035847
Chemical Name: 4-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-phenylbutanamide
Smiles: O=C(Nc1ccccc1)CCCN1C(=S)S/C(=C/c2ccc3c(c2)OCO3)/C1=O

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Molecular Weight: 426.52
Empirical Formula: C21H18N2O4S2

Physical State: Dry powder
Available Amount: 35 mg

Lipinsky:
logP: 3.38
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 125
Number of rings: 4

     

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