COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK311071
Chemical Name: 4-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}-4H-1,2,4-triazole-3-thiol
Smiles: Sc1nncn1/N=C/c1ccc2c(c1)OCO2

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Molecular Weight: 248.27
Empirical Formula: C10H8N4O2S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.798
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 100
Number of rings: 3

     

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