COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL053770
Chemical Name: 3-(3-methoxyphenyl)-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine
Smiles: COc1cccc(c1)c1nnc(n1N)SCc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 357.39
Empirical Formula: C16H15N5O3S

Physical State: Dry powder
Available Amount: 112 mg

Lipinsky:
logP: 4.022
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 137
Number of rings: 3

     

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