COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK684183
Chemical Name: 5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4H-1,2,4-triazole-3-thiol
Smiles: COc1cc(/C=C/c2nnc([nH]2)S)ccc1OC

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Molecular Weight: 263.32
Empirical Formula: C12H13N3O2S

Physical State: Dry powder
Available Amount: 61 mg

Lipinsky:
logP: 2.99
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 98
Number of rings: 2

     

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