COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL048927
Chemical Name: 2-{(E)-[2-({1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazinylidene]methyl}-4-bromophenolate
Smiles: Brc1ccc(c(c1)/C=N/NC(=O)c1nnn(c1CSc1ccccc1)c1nonc1[NH3+])[O-]

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Molecular Weight: 515.35
Empirical Formula: C19H15BrN8O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.188
Rotatable bonds: 5
H-donors: 4
H-acceptors: 3
PSA: 187
Number of rings: 4

     

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