COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK592887
Chemical Name: methyl4-[(E)-{[3-(4-fluorophenyl)-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)c1ccc(cc1)F

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Molecular Weight: 356.38
Empirical Formula: C17H13FN4O2S

Physical State: Dry powder
Available Amount: 170 mg

Lipinsky:
logP: 3.125
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 98
Number of rings: 3

     

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