COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK851164
Chemical Name: methyl4-[(E)-{[3-(phenoxymethyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]benzoate
Smiles: COC(=O)c1ccc(cc1)/C=N/n1c(COc2ccccc2)n[nH]c1=S

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Molecular Weight: 368.42
Empirical Formula: C18H16N4O3S

Physical State: Dry powder
Available Amount: 204 mg

Lipinsky:
logP: 2.938
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 107
Number of rings: 3

     

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