COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL300338
Chemical Name: 3-(azepan-1-ylmethyl)-6-(3,4,5-triethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1cc(cc(c1OCC)OCC)c1sc2n(n1)c(nn2)CN1CCCCCC1

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Molecular Weight: 445.59
Empirical Formula: C22H31N5O3S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 6.309
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 102
Number of rings: 4

     

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