COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL145823
Chemical Name: 3-(azepan-1-ylmethyl)-6-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: COc1cc(cc(c1OC)OC)c1nn2c(s1)nnc2CN1CCCCCC1

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Molecular Weight: 403.51
Empirical Formula: C19H25N5O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.714
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 102
Number of rings: 4

     

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