COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK508977
Chemical Name: 2-[(E)-{[3-(4-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]-4,6-dinitrophenol
Smiles: Cc1ccc(cc1)c1nnc(n1/N=C/c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-])S

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Molecular Weight: 400.37
Empirical Formula: C16H12N6O5S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.873
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 193
Number of rings: 3

     

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