COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL138478
Chemical Name: 3-[(2-chlorophenoxy)methyl]-5-[(4-nitrobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Smiles: C=CCn1c(nnc1COc1ccccc1Cl)SCc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 416.89
Empirical Formula: C19H17ClN4O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.196
Rotatable bonds: 7
H-donors: 0
H-acceptors: 3
PSA: 111
Number of rings: 3

     

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