COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK736367
Chemical Name: 3-[(1,3-benzodioxol-5-yloxy)methyl]-5-[(2-chloro-6-nitrobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole
Smiles: Clc1cccc(c1CSc1nnc(n1c1ccccc1)COc1ccc2c(c1)OCO2)[N+](=O)[O-]

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Molecular Weight: 496.93
Empirical Formula: C23H17ClN4O5S

Physical State: Dry powder
Available Amount: 71 mg

Lipinsky:
logP: 6.538
Rotatable bonds: 6
H-donors: 0
H-acceptors: 5
PSA: 129
Number of rings: 5

     

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