COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK566047
Chemical Name: 5-(4-tert-butylphenyl)-4-{[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(/C=N/n2c(=S)[nH]nc2c2ccc(cc2)C(C)(C)C)cc(c1O)OC

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Molecular Weight: 412.51
Empirical Formula: C21H24N4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.739
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 110
Number of rings: 3

     

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