COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK628435
Chemical Name: (2Z)-2-[(5-bromo-1-benzofuran-2-yl)methylidene]-7-{[butyl(methyl)ammonio]methyl}-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: CCCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1cc3c(o1)ccc(c3)Br)/C2=O)C

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Molecular Weight: 456.34
Empirical Formula: C23H22BrNO4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.547
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 66
Number of rings: 4

     

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