COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK563659
Chemical Name: 2-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(piperidinium-1-ylmethyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-4-bromophenolate
Smiles: Brc1ccc(c(c1)/C=N/NC(=O)c1nnn(c1C[NH+]1CCCCC1)c1nonc1N)[O-]

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Molecular Weight: 490.32
Empirical Formula: C18H20BrN9O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.147
Rotatable bonds: 5
H-donors: 4
H-acceptors: 3
PSA: 164
Number of rings: 4

     

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