COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK804055
Chemical Name: 3-(3,4-dimethoxyphenyl)-4-methyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
Smiles: COc1ccc(cc1OC)c1nnc(n1C)SCc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 386.43
Empirical Formula: C18H18N4O4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.609
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 120
Number of rings: 3

     

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