COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK576138
Chemical Name: methyl4-{(E)-[(3-cyclohexyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)imino]methyl}benzoate
Smiles: COC(=O)c1ccc(cc1)/C=N/n1c(n[nH]c1=S)C1CCCCC1

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Molecular Weight: 344.44
Empirical Formula: C17H20N4O2S

Physical State: Dry powder
Available Amount: 210 mg

Lipinsky:
logP: 3.381
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 98
Number of rings: 3

     

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