COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL035497
Chemical Name: 6-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)hexanamide
Smiles: CCc1nnc(s1)NC(=O)CCCCCN1C(=S)S/C(=C/c2ccc3c(c2)OCO3)/C1=O

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Molecular Weight: 490.63
Empirical Formula: C21H22N4O4S3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.15
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 179
Number of rings: 4

     

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