COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043830
Chemical Name: 4-{(E)-[(3-cyclohexyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)imino]methyl}-2,6-dimethoxyphenylacetate
Smiles: COc1cc(/C=N/n2c(=S)[nH]nc2C2CCCCC2)cc(c1OC(=O)C)OC

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Molecular Weight: 404.49
Empirical Formula: C19H24N4O4S

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 2.391
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 116
Number of rings: 3

     

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