COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL057626
Chemical Name: 4-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-3-hydroxyphenolate
Smiles: [O-]c1ccc(c(c1)O)/C=N/NC(=O)c1nnn(c1CSc1nncn1C)c1nonc1[NH3+]

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Molecular Weight: 457.43
Empirical Formula: C16H15N11O4S

Physical State: Dry powder
Available Amount: 253 mg

Lipinsky:
logP: -0.077
Rotatable bonds: 7
H-donors: 5
H-acceptors: 4
PSA: 238
Number of rings: 4

     

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