COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040077
Chemical Name: 4-[(E)-{[3-(4-tert-butylphenyl)-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(cc2)C(C)(C)C)cc(c1OC(=O)C)OC

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Molecular Weight: 454.55
Empirical Formula: C23H26N4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.772
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 116
Number of rings: 3

     

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