COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL168472
Chemical Name: 2-[(E)-(2-{5-[(3-bromobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}hydrazinylidene)methyl]-4-nitrophenol
Smiles: Brc1cccc(c1)CSc1nnc([nH]1)N/N=C/c1cc(ccc1O)[N+](=O)[O-]

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Molecular Weight: 449.29
Empirical Formula: C16H13BrN6O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.25
Rotatable bonds: 6
H-donors: 3
H-acceptors: 3
PSA: 157
Number of rings: 3

     

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