COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK618110
Chemical Name: (2Z)-7-(azepanium-1-ylmethyl)-2-[(5-bromo-1-benzofuran-2-yl)methylidene]-4-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: Brc1ccc2c(c1)cc(o2)/C=C/1\Oc2c(C1=O)c(C)cc(c2C[NH+]1CCCCCC1)[O-]

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Molecular Weight: 482.37
Empirical Formula: C25H24BrNO4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.754
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 66
Number of rings: 5

     

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