COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL026085
Chemical Name: 3-(2-methoxyphenyl)-5-[(4-nitrobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Smiles: C=CCn1c(SCc2ccc(cc2)[N+](=O)[O-])nnc1c1ccccc1OC

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Molecular Weight: 382.44
Empirical Formula: C19H18N4O3S

Physical State: Dry powder
Available Amount: 120 mg

Lipinsky:
logP: 4.929
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 111
Number of rings: 3

     

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