COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK807155
Chemical Name: 3-(3-chloro-1-benzothiophen-2-yl)-5-[(4-nitrobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole
Smiles: [O-][N+](=O)c1ccc(cc1)CSc1nnc(n1c1ccccc1)c1sc2c(c1Cl)cccc2

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Molecular Weight: 478.98
Empirical Formula: C23H15ClN4O2S2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 8.82
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 130
Number of rings: 5

     

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