COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL042806
Chemical Name: 2,6-dimethoxy-4-[(E)-{[3-(5-phenyl-1H-pyrazol-3-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]phenylacetate
Smiles: COc1cc(/C=N/n2c(S)nnc2c2n[nH]c(c2)c2ccccc2)cc(c1OC(=O)C)OC

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Molecular Weight: 464.5
Empirical Formula: C22H20N6O4S

Physical State: Dry powder
Available Amount: 168 mg

Lipinsky:
logP: 4.056
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 155
Number of rings: 4

     

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