COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045009
Chemical Name: 2,4-dibromo-6-{[(1-butyl-1H-3,1-benzimidazol-3-ium-2-yl)amino]methyl}phenolate
Smiles: CCCCn1c(NCc2cc(Br)cc(c2[O-])Br)[nH+]c2c1cccc2

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Molecular Weight: 453.18
Empirical Formula: C18H19Br2N3O

Physical State: Dry powder
Available Amount: 325 mg

Lipinsky:
logP: 6.1
Rotatable bonds: 5
H-donors: 2
H-acceptors: 1
PSA: 54
Number of rings: 3

     

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