COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL086172
Chemical Name: 3-(azepan-1-ylmethyl)-6-[(E)-2-phenylethenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: C1CCCCN(C1)Cc1nnc2n1nc(s2)/C=C/c1ccccc1

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Molecular Weight: 339.46
Empirical Formula: C18H21N5S

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 5.067
Rotatable bonds: 2
H-donors: 0
H-acceptors: 0
PSA: 74
Number of rings: 4

     

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