COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL354721
Chemical Name: 3-[(1-{2-[(2,4-dichlorobenzyl)oxy]phenyl}-2-nitroethyl)sulfanyl]-5-methyl-4-phenyl-4H-1,2,4-triazole
Smiles: [O-][N+](=O)CC(c1ccccc1OCc1ccc(cc1Cl)Cl)Sc1nnc(n1c1ccccc1)C

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Molecular Weight: 515.42
Empirical Formula: C24H20Cl2N4O3S

Available Amount: 0 mg

Lipinsky:
logP: 7.786
Rotatable bonds: 7
H-donors: 0
H-acceptors: 3
PSA: 111
Number of rings: 4

     

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