COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK113211
Chemical Name: 4-{[(E)-{3-chloro-4-[(4-nitrobenzyl)oxy]phenyl}methylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol
Smiles: Clc1cc(ccc1OCc1ccc(cc1)[N+](=O)[O-])/C=N/n1c(S)nnc1c1ccccc1

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Molecular Weight: 465.92
Empirical Formula: C22H16ClN5O3S

Physical State: Dry powder
Available Amount: 141 mg

Lipinsky:
logP: 7.086
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 136
Number of rings: 4

     

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