COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK569947
Chemical Name: 4-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
Smiles: COc1ccccc1c1nnc(n1c1ccc(cc1)Cl)SCc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 452.92
Empirical Formula: C22H17ClN4O3S

Physical State: Dry powder
Available Amount: 110 mg

Lipinsky:
logP: 6.886
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 111
Number of rings: 4

     

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