COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL381599
Chemical Name: dimethyl2-({[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzene-1,4-dicarboxylate
Smiles: COC(=O)c1ccc(cc1NC(=O)CSc1nnc(n1C)c1ccccc1)C(=O)OC

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Molecular Weight: 440.48
Empirical Formula: C21H20N4O5S

Physical State: Dry powder
Available Amount: 370 mg

Lipinsky:
logP: 5.116
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 137
Number of rings: 3

     

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