COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK751921
Chemical Name: 5-nitro-2-[(E)-({3-[(4-nitrobenzyl)sulfanyl]-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-yl}imino)methyl]phenol
Smiles: Oc1cc(ccc1/C=N/n1cnn2c1nnc2SCc1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 440.4
Empirical Formula: C17H12N8O5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.791
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 197
Number of rings: 4

     

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