COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL037823
Chemical Name: 4-bromo-2-{[(1-hexadecyl-1H-3,1-benzimidazol-3-ium-2-yl)amino]methyl}phenolate
Smiles: CCCCCCCCCCCCCCCCn1c(NCc2cc(Br)ccc2[O-])[nH+]c2c1cccc2

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Molecular Weight: 542.6
Empirical Formula: C30H44BrN3O

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 11.534
Rotatable bonds: 17
H-donors: 2
H-acceptors: 1
PSA: 54
Number of rings: 3

     

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