COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL086180
Chemical Name: 3-(azepan-1-ylmethyl)-6-(1,3-benzodioxol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: C1CCCN(CC1)Cc1nnc2n1nc(s2)c1ccc2c(c1)OCO2

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Molecular Weight: 357.44
Empirical Formula: C17H19N5O2S

Physical State: Dry powder
Available Amount: 391 mg

Lipinsky:
logP: 3.936
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 93
Number of rings: 5

     

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