COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL086152
Chemical Name: 3-(azepan-1-ylmethyl)-6-(4-ethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1sc2n(n1)c(nn2)CN1CCCCCC1

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Molecular Weight: 357.48
Empirical Formula: C18H23N5OS

Physical State: Dry powder
Available Amount: 97 mg

Lipinsky:
logP: 5.222
Rotatable bonds: 2
H-donors: 0
H-acceptors: 1
PSA: 83
Number of rings: 4

     

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