COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL168468
Chemical Name: 3-[(2E)-2-(3-nitrobenzylidene)hydrazinyl]-5-[(2,4,6-trimethylbenzyl)sulfanyl]-1H-1,2,4-triazole
Smiles: Cc1cc(C)c(c(c1)C)CSc1[nH]nc(n1)N/N=C/c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 396.47
Empirical Formula: C19H20N6O2S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.532
Rotatable bonds: 4
H-donors: 2
H-acceptors: 2
PSA: 137
Number of rings: 3

     

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