COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL051927
Chemical Name: 2-(9-tert-butyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-1-ium-2-yl)phenolate
Smiles: [O-]c1ccccc1c1nn2c([nH+]1)c1c(nc2)sc2c1CCC(C2)C(C)(C)C

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Molecular Weight: 378.5
Empirical Formula: C21H22N4OS

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.837
Rotatable bonds: 1
H-donors: 1
H-acceptors: 1
PSA: 95
Number of rings: 5

     

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