COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL039160
Chemical Name: 2-{(E)-[2-({[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-6-(prop-2-en-1-yl)phenolate
Smiles: C=CCc1cccc(c1[O-])/C=N/NC(=O)CSc1[nH+]nc(n1c1ccccc1)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 514.56
Empirical Formula: C26H22N6O4S

Physical State: Dry powder
Available Amount: 258 mg

Lipinsky:
logP: 7.962
Rotatable bonds: 8
H-donors: 2
H-acceptors: 4
PSA: 167
Number of rings: 4

     

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