COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK232380
Chemical Name: 3-[(2,6-dimethylphenoxy)methyl]-4-methyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
Smiles: Cn1c(nnc1COc1c(C)cccc1C)SCc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 384.46
Empirical Formula: C19H20N4O3S

Physical State: Dry powder
Available Amount: 144 mg

Lipinsky:
logP: 4.719
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 111
Number of rings: 3

     

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