COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL037669
Chemical Name: 4-{(E)-[(3-cyclohexyl-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)C1CCCCC1

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Molecular Weight: 330.41
Empirical Formula: C16H18N4O2S

Physical State: Dry powder
Available Amount: 320 mg

Lipinsky:
logP: 3.08
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 109
Number of rings: 3

     

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