COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK560208
Chemical Name: 2-[(E)-{[3-(4-tert-butylphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]benzoicacid
Smiles: OC(=O)c1ccccc1/C=N/n1c(=S)[nH]nc1c1ccc(cc1)C(C)(C)C

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Molecular Weight: 380.47
Empirical Formula: C20H20N4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.481
Rotatable bonds: 4
H-donors: 2
H-acceptors: 2
PSA: 109
Number of rings: 3

     

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