COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL509644
Chemical Name: 3-[(benzylsulfanyl)methyl]-6-[(E)-2-(3,4-dimethoxyphenyl)ethenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: COc1cc(/C=C/c2nn3c(s2)nnc3CSCc2ccccc2)ccc1OC

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Molecular Weight: 424.55
Empirical Formula: C21H20N4O2S2

Physical State: Dry powder
Available Amount: 92 mg

Lipinsky:
logP: 5.571
Rotatable bonds: 7
H-donors: 0
H-acceptors: 2
PSA: 115
Number of rings: 4

     

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