COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL051942
Chemical Name: 4-[(E)-{[3-(5-phenyl-1H-pyrazol-3-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]benzoicacid
Smiles: OC(=O)c1ccc(cc1)/C=N/n1c(n[nH]c1=S)c1cc([nH]n1)c1ccccc1

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Molecular Weight: 390.43
Empirical Formula: C19H14N6O2S

Physical State: Dry powder
Available Amount: 168 mg

Lipinsky:
logP: 2.779
Rotatable bonds: 3
H-donors: 3
H-acceptors: 2
PSA: 138
Number of rings: 4

     

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