COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK508881
Chemical Name: 2,4-dinitro-6-{(E)-[(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenol
Smiles: [O-][N+](=O)c1cc(/C=N/n2c(S)nnc2c2ccccc2)c(c(c1)[N+](=O)[O-])O

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Molecular Weight: 386.35
Empirical Formula: C15H10N6O5S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.413
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 193
Number of rings: 3

     

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