COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL041590
Chemical Name: 4-[(1E)-1-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)ethyl]phenolate
Smiles: [O-]c1ccc(cc1)/C(=N/NC(=O)c1nnn(c1CSc1ccc(cc1)C)c1nonc1[NH3+])/C

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Molecular Weight: 464.51
Empirical Formula: C21H20N8O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.496
Rotatable bonds: 4
H-donors: 4
H-acceptors: 3
PSA: 187
Number of rings: 4

     

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