COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK506461
Chemical Name: 4-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol
Smiles: Sc1nnc(n1/N=C/c1ccc2c(c1)OCO2)c1ccccc1

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Molecular Weight: 324.36
Empirical Formula: C16H12N4O2S

Physical State: Dry powder
Available Amount: 87 mg

Lipinsky:
logP: 4.241
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 100
Number of rings: 4

     

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