COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL509620
Chemical Name: 3-[(benzylsulfanyl)methyl]-6-(3,4-diethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1cc(ccc1OCC)c1nn2c(s1)nnc2CSCc1ccccc1

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Molecular Weight: 426.56
Empirical Formula: C21H22N4O2S2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 6.502
Rotatable bonds: 8
H-donors: 0
H-acceptors: 2
PSA: 115
Number of rings: 4

     

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