COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL145822
Chemical Name: 3-(azepan-1-ylmethyl)-6-(2,3-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: COc1c(OC)cccc1c1nn2c(s1)nnc2CN1CCCCCC1

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Molecular Weight: 373.48
Empirical Formula: C18H23N5O2S

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 4.327
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 93
Number of rings: 4

     

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