COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK599192
Chemical Name: methyl4-[(E)-{[5-thioxo-3-(3,4,5-trimethoxyphenyl)-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]benzoate
Smiles: COC(=O)c1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1cc(OC)c(c(c1)OC)OC

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Molecular Weight: 428.47
Empirical Formula: C20H20N4O5S

Physical State: Dry powder
Available Amount: 190 mg

Lipinsky:
logP: 2.513
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 126
Number of rings: 3

     

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