COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL037962
Chemical Name: 4-[(E)-{[3-(3,4-dimethoxyphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]-2,6-dimethoxyphenylacetate
Smiles: COc1cc(/C=N/n2c(=S)[nH]nc2c2ccc(c(c2)OC)OC)cc(c1OC(=O)C)OC

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Molecular Weight: 458.5
Empirical Formula: C21H22N4O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.821
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 135
Number of rings: 3

     

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