COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL300336
Chemical Name: 3-(azepan-1-ylmethyl)-6-(2,5-dichlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: Clc1ccc(c(c1)c1nn2c(s1)nnc2CN1CCCCCC1)Cl

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Molecular Weight: 382.32
Empirical Formula: C16H17Cl2N5S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.421
Rotatable bonds: 2
H-donors: 0
H-acceptors: 0
PSA: 74
Number of rings: 4

     

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