COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL057082
Chemical Name: ethyl2-({4-[2-(4-methylphenoxy)ethyl]-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl}sulfanyl)-3-oxobutanoate
Smiles: CCOC(=O)C(C(=O)C)Sc1sc(=S)n(n1)CCOc1ccc(cc1)C

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Molecular Weight: 412.55
Empirical Formula: C17H20N2O4S3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.578
Rotatable bonds: 9
H-donors: 0
H-acceptors: 4
PSA: 150
Number of rings: 2

     

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