COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK569993
Chemical Name: 3-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
Smiles: Clc1ccc(cc1)OCc1nnc(n1Cc1ccco1)SCc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 456.91
Empirical Formula: C21H17ClN4O4S

Physical State: Dry powder
Available Amount: 110 mg

Lipinsky:
logP: 5.457
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 124
Number of rings: 4

     

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