COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK449999
Chemical Name: 5-(1,3-benzodioxol-5-yl)-4-benzyl-4H-1,2,4-triazole-3-thiol
Smiles: Sc1nnc(n1Cc1ccccc1)c1ccc2c(c1)OCO2

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Molecular Weight: 311.36
Empirical Formula: C16H13N3O2S

Physical State: Dry powder
Available Amount: 77 mg

Lipinsky:
logP: 3.93
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 87
Number of rings: 4

     

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